USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 983 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 130 ASN : amide:sc= -0.298 K(o=-0.3,f=-7.3!) USER MOD Set 1.2: A 133 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 58 SER OG : rot 180:sc= -0.468 USER MOD Set 2.2: A 122 THR OG1 : rot 77:sc= 0.535 USER MOD Set 3.1: A 83 MET CE :methyl -178:sc= 0 (180deg=0) USER MOD Set 3.2: A 85 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 63 THR OG1 : rot -67:sc= 0.563 USER MOD Set 4.2: A 76 LYS NZ :NH3+ -177:sc= 0.434 (180deg=0) USER MOD Set 5.1: A 70 TYR OH : rot 180:sc= 0.00654 USER MOD Set 5.2: A 71 GLN : amide:sc= -5.81! C(o=-5.8!,f=-15!) USER MOD Set 6.1: A 40 ASN : amide:sc= -3.19! C(o=-3.2!,f=-5!) USER MOD Set 6.2: A 62 HIS : no HD1:sc= -0.014 X(o=-3.2,f=-3.2) USER MOD Single : A 9 LYS NZ :NH3+ -161:sc= -0.0225 (180deg=-0.365) USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= -0.0492 (180deg=-0.631) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -158:sc= -2.02! (180deg=-2.91!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -159:sc= -0.0352 (180deg=-0.32) USER MOD Single : A 30 TYR OH : rot -59:sc= -4.16! USER MOD Single : A 35 THR OG1 : rot -71:sc= 0.514 USER MOD Single : A 38 GLN :FLIP amide:sc= -2.75! C(o=-6!,f=-2.8!) USER MOD Single : A 44 SER OG : rot 36:sc= 1.24 USER MOD Single : A 49 ASN : amide:sc= -0.938 K(o=-0.94,f=-2!) USER MOD Single : A 51 SER OG : rot 180:sc= -1.08 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.984 X(o=-0.98,f=-1.1!) USER MOD Single : A 69 ASN : amide:sc= 0.0767 X(o=0.077,f=-0.1) USER MOD Single : A 73 THR OG1 : rot 79:sc= 0.925 USER MOD Single : A 74 ASN : amide:sc= -1.29 K(o=-1.3,f=-9.5!) USER MOD Single : A 79 LYS NZ :NH3+ -108:sc= -2.13 (180deg=-4.76!) USER MOD Single : A 80 LYS NZ :NH3+ -126:sc= -2.81 (180deg=-3.79!) USER MOD Single : A 82 SER OG : rot 180:sc= -0.232! USER MOD Single : A 87 LYS NZ :NH3+ -164:sc= -0.0264 (180deg=-0.336) USER MOD Single : A 90 ASN : amide:sc= -0.0534 K(o=-0.053,f=-2.1!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.398) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.243 USER MOD Single : A 96 LYS NZ :NH3+ 160:sc= -0.0103 (180deg=-0.272) USER MOD Single : A 97 MET CE :methyl -141:sc= -0.0688 (180deg=-2.9!) USER MOD Single : A 98 THR OG1 : rot 78:sc= 1.21 USER MOD Single : A 99 SER OG : rot 29:sc= 0.458 USER MOD Single : A 119 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.306) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 CYS SG : rot 20:sc= -0.665 USER MOD Single : A 129 TYR OH : rot 180:sc= -1.51 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 141:sc= -2.8! (180deg=-5.5!) USER MOD Single : A 140 LYS NZ :NH3+ -161:sc= -0.0107 (180deg=-0.194) USER MOD Single : A 145 THR OG1 : rot -156:sc= -2.14! USER MOD ----------------------------------------------------------------- ATOM 100 N ILE A 7 12.378 11.436 1.604 1.00 0.00 N ATOM 101 CA ILE A 7 10.893 11.266 1.567 1.00 0.00 C ATOM 102 C ILE A 7 10.265 12.672 1.534 1.00 0.00 C ATOM 103 O ILE A 7 10.129 13.307 2.560 1.00 0.00 O ATOM 104 CB ILE A 7 10.414 10.525 2.827 1.00 0.00 C ATOM 105 CG1 ILE A 7 11.218 9.226 2.994 1.00 0.00 C ATOM 106 CG2 ILE A 7 8.921 10.195 2.687 1.00 0.00 C ATOM 107 CD1 ILE A 7 10.635 8.384 4.133 1.00 0.00 C ATOM 0 HA ILE A 7 10.601 10.686 0.691 1.00 0.00 H new ATOM 0 HB ILE A 7 10.564 11.157 3.702 1.00 0.00 H new ATOM 0 HG12 ILE A 7 11.199 8.656 2.065 1.00 0.00 H new ATOM 0 HG13 ILE A 7 12.262 9.460 3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.579 9.670 3.579 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.354 11.118 2.570 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.769 9.562 1.813 1.00 0.00 H new ATOM 0 HD11 ILE A 7 11.214 7.467 4.240 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.677 8.951 5.063 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.598 8.134 3.907 1.00 0.00 H new ATOM 119 N PRO A 8 9.917 13.181 0.368 1.00 0.00 N ATOM 120 CA PRO A 8 9.339 14.552 0.236 1.00 0.00 C ATOM 121 C PRO A 8 8.326 14.892 1.333 1.00 0.00 C ATOM 122 O PRO A 8 7.562 14.059 1.774 1.00 0.00 O ATOM 123 CB PRO A 8 8.673 14.519 -1.139 1.00 0.00 C ATOM 124 CG PRO A 8 9.531 13.593 -1.937 1.00 0.00 C ATOM 125 CD PRO A 8 10.018 12.520 -0.953 1.00 0.00 C ATOM 0 HA PRO A 8 10.103 15.323 0.338 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.647 14.157 -1.076 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.634 15.512 -1.587 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.967 13.146 -2.756 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.372 14.125 -2.382 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.400 11.624 -1.000 1.00 0.00 H new ATOM 0 HD3 PRO A 8 11.041 12.213 -1.170 1.00 0.00 H new ATOM 133 N LYS A 9 8.320 16.121 1.774 1.00 0.00 N ATOM 134 CA LYS A 9 7.363 16.535 2.838 1.00 0.00 C ATOM 135 C LYS A 9 6.047 16.966 2.189 1.00 0.00 C ATOM 136 O LYS A 9 5.025 17.064 2.837 1.00 0.00 O ATOM 137 CB LYS A 9 7.956 17.711 3.620 1.00 0.00 C ATOM 138 CG LYS A 9 9.378 17.361 4.064 1.00 0.00 C ATOM 139 CD LYS A 9 9.993 18.551 4.802 1.00 0.00 C ATOM 140 CE LYS A 9 11.406 18.189 5.264 1.00 0.00 C ATOM 141 NZ LYS A 9 11.329 17.146 6.326 1.00 0.00 N ATOM 0 H LYS A 9 8.940 16.859 1.441 1.00 0.00 H new ATOM 0 HA LYS A 9 7.180 15.702 3.516 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.967 18.606 2.999 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.336 17.934 4.489 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.362 16.486 4.714 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.987 17.103 3.198 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.025 19.422 4.147 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.376 18.819 5.660 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.993 17.823 4.422 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.914 19.075 5.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.221 17.128 6.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.544 17.365 6.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.168 16.216 5.889 1.00 0.00 H new ATOM 155 N ASP A 10 6.066 17.221 0.908 1.00 0.00 N ATOM 156 CA ASP A 10 4.818 17.641 0.213 1.00 0.00 C ATOM 157 C ASP A 10 3.934 16.415 -0.033 1.00 0.00 C ATOM 158 O ASP A 10 4.206 15.604 -0.895 1.00 0.00 O ATOM 159 CB ASP A 10 5.176 18.295 -1.126 1.00 0.00 C ATOM 160 CG ASP A 10 5.702 19.712 -0.882 1.00 0.00 C ATOM 161 OD1 ASP A 10 4.898 20.576 -0.577 1.00 0.00 O ATOM 162 OD2 ASP A 10 6.900 19.906 -1.004 1.00 0.00 O ATOM 0 H ASP A 10 6.893 17.156 0.314 1.00 0.00 H new ATOM 0 HA ASP A 10 4.278 18.357 0.833 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.930 17.701 -1.642 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.299 18.328 -1.772 1.00 0.00 H new ATOM 167 N LYS A 11 2.880 16.278 0.721 1.00 0.00 N ATOM 168 CA LYS A 11 1.975 15.111 0.541 1.00 0.00 C ATOM 169 C LYS A 11 1.435 15.097 -0.893 1.00 0.00 C ATOM 170 O LYS A 11 0.705 14.206 -1.280 1.00 0.00 O ATOM 171 CB LYS A 11 0.807 15.228 1.529 1.00 0.00 C ATOM 172 CG LYS A 11 1.264 14.800 2.928 1.00 0.00 C ATOM 173 CD LYS A 11 2.386 15.722 3.417 1.00 0.00 C ATOM 174 CE LYS A 11 2.545 15.582 4.933 1.00 0.00 C ATOM 175 NZ LYS A 11 2.429 14.147 5.315 1.00 0.00 N ATOM 0 H LYS A 11 2.606 16.928 1.458 1.00 0.00 H new ATOM 0 HA LYS A 11 2.523 14.187 0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.442 16.255 1.554 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.023 14.602 1.201 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.424 14.837 3.621 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.614 13.768 2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.322 15.468 2.919 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.158 16.756 3.160 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.512 15.975 5.246 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.782 16.168 5.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.845 14.004 6.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.426 13.873 5.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.935 13.561 4.621 1.00 0.00 H new ATOM 189 N SER A 12 1.789 16.084 -1.680 1.00 0.00 N ATOM 190 CA SER A 12 1.304 16.153 -3.096 1.00 0.00 C ATOM 191 C SER A 12 2.489 15.983 -4.048 1.00 0.00 C ATOM 192 O SER A 12 2.615 16.692 -5.026 1.00 0.00 O ATOM 193 CB SER A 12 0.657 17.517 -3.339 1.00 0.00 C ATOM 194 OG SER A 12 -0.585 17.578 -2.649 1.00 0.00 O ATOM 0 H SER A 12 2.399 16.852 -1.400 1.00 0.00 H new ATOM 0 HA SER A 12 0.576 15.361 -3.272 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.317 18.312 -2.993 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.501 17.673 -4.406 1.00 0.00 H new ATOM 0 HG SER A 12 -1.001 18.452 -2.801 1.00 0.00 H new ATOM 200 N LYS A 13 3.363 15.048 -3.771 1.00 0.00 N ATOM 201 CA LYS A 13 4.546 14.834 -4.659 1.00 0.00 C ATOM 202 C LYS A 13 4.845 13.328 -4.742 1.00 0.00 C ATOM 203 O LYS A 13 4.851 12.627 -3.749 1.00 0.00 O ATOM 204 CB LYS A 13 5.755 15.601 -4.069 1.00 0.00 C ATOM 205 CG LYS A 13 6.092 16.853 -4.911 1.00 0.00 C ATOM 206 CD LYS A 13 6.743 16.487 -6.264 1.00 0.00 C ATOM 207 CE LYS A 13 7.975 15.597 -6.056 1.00 0.00 C ATOM 208 NZ LYS A 13 8.666 15.986 -4.793 1.00 0.00 N ATOM 0 H LYS A 13 3.308 14.423 -2.967 1.00 0.00 H new ATOM 0 HA LYS A 13 4.346 15.206 -5.664 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.534 15.898 -3.044 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.622 14.942 -4.030 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.181 17.424 -5.090 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.767 17.497 -4.347 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.018 15.970 -6.893 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.031 17.396 -6.791 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.676 14.550 -6.011 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.656 15.698 -6.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.657 15.673 -4.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.633 17.020 -4.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.190 15.537 -3.985 1.00 0.00 H new ATOM 222 N VAL A 14 5.083 12.832 -5.926 1.00 0.00 N ATOM 223 CA VAL A 14 5.371 11.377 -6.094 1.00 0.00 C ATOM 224 C VAL A 14 6.623 10.974 -5.313 1.00 0.00 C ATOM 225 O VAL A 14 7.722 11.386 -5.628 1.00 0.00 O ATOM 226 CB VAL A 14 5.603 11.070 -7.573 1.00 0.00 C ATOM 227 CG1 VAL A 14 5.732 9.557 -7.762 1.00 0.00 C ATOM 228 CG2 VAL A 14 4.426 11.589 -8.399 1.00 0.00 C ATOM 0 H VAL A 14 5.091 13.375 -6.790 1.00 0.00 H new ATOM 0 HA VAL A 14 4.517 10.816 -5.715 1.00 0.00 H new ATOM 0 HB VAL A 14 6.518 11.560 -7.905 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.898 9.335 -8.816 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.574 9.188 -7.177 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.816 9.069 -7.428 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.596 11.368 -9.453 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.508 11.103 -8.069 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.334 12.667 -8.264 1.00 0.00 H new ATOM 238 N ALA A 15 6.473 10.136 -4.320 1.00 0.00 N ATOM 239 CA ALA A 15 7.660 9.666 -3.544 1.00 0.00 C ATOM 240 C ALA A 15 8.101 8.323 -4.134 1.00 0.00 C ATOM 241 O ALA A 15 9.101 7.754 -3.743 1.00 0.00 O ATOM 242 CB ALA A 15 7.276 9.488 -2.065 1.00 0.00 C ATOM 0 H ALA A 15 5.578 9.756 -4.012 1.00 0.00 H new ATOM 0 HA ALA A 15 8.470 10.392 -3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.144 9.145 -1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.935 10.441 -1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.477 8.752 -1.983 1.00 0.00 H new ATOM 248 N GLY A 16 7.352 7.820 -5.080 1.00 0.00 N ATOM 249 CA GLY A 16 7.706 6.519 -5.714 1.00 0.00 C ATOM 250 C GLY A 16 6.595 6.107 -6.682 1.00 0.00 C ATOM 251 O GLY A 16 5.712 6.883 -6.994 1.00 0.00 O ATOM 0 H GLY A 16 6.505 8.259 -5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.653 6.607 -6.246 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.840 5.754 -4.949 1.00 0.00 H new ATOM 255 N TYR A 17 6.627 4.890 -7.160 1.00 0.00 N ATOM 256 CA TYR A 17 5.571 4.426 -8.113 1.00 0.00 C ATOM 257 C TYR A 17 5.342 2.924 -7.914 1.00 0.00 C ATOM 258 O TYR A 17 6.258 2.130 -8.006 1.00 0.00 O ATOM 259 CB TYR A 17 6.041 4.701 -9.568 1.00 0.00 C ATOM 260 CG TYR A 17 5.175 5.758 -10.230 1.00 0.00 C ATOM 261 CD1 TYR A 17 3.923 5.407 -10.748 1.00 0.00 C ATOM 262 CD2 TYR A 17 5.633 7.077 -10.338 1.00 0.00 C ATOM 263 CE1 TYR A 17 3.128 6.376 -11.372 1.00 0.00 C ATOM 264 CE2 TYR A 17 4.835 8.046 -10.961 1.00 0.00 C ATOM 265 CZ TYR A 17 3.584 7.694 -11.478 1.00 0.00 C ATOM 266 OH TYR A 17 2.799 8.648 -12.094 1.00 0.00 O ATOM 0 H TYR A 17 7.339 4.196 -6.932 1.00 0.00 H new ATOM 0 HA TYR A 17 4.639 4.961 -7.929 1.00 0.00 H new ATOM 0 HB2 TYR A 17 7.080 5.029 -9.562 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.001 3.778 -10.147 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.570 4.389 -10.666 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.601 7.347 -9.941 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.162 6.106 -11.772 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.186 9.064 -11.042 1.00 0.00 H new ATOM 0 HH TYR A 17 3.263 9.511 -12.082 1.00 0.00 H new ATOM 276 N ILE A 18 4.119 2.529 -7.660 1.00 0.00 N ATOM 277 CA ILE A 18 3.821 1.077 -7.475 1.00 0.00 C ATOM 278 C ILE A 18 3.258 0.534 -8.788 1.00 0.00 C ATOM 279 O ILE A 18 2.594 1.238 -9.521 1.00 0.00 O ATOM 280 CB ILE A 18 2.790 0.899 -6.355 1.00 0.00 C ATOM 281 CG1 ILE A 18 2.600 -0.597 -6.065 1.00 0.00 C ATOM 282 CG2 ILE A 18 1.452 1.509 -6.781 1.00 0.00 C ATOM 283 CD1 ILE A 18 1.905 -0.777 -4.713 1.00 0.00 C ATOM 0 H ILE A 18 3.315 3.150 -7.573 1.00 0.00 H new ATOM 0 HA ILE A 18 4.728 0.537 -7.203 1.00 0.00 H new ATOM 0 HB ILE A 18 3.146 1.403 -5.456 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.006 -1.058 -6.854 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.566 -1.101 -6.058 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.722 1.380 -5.982 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.585 2.572 -6.983 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.095 1.010 -7.682 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.772 -1.840 -4.511 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.516 -0.332 -3.928 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.931 -0.288 -4.736 1.00 0.00 H new ATOM 295 N GLU A 19 3.521 -0.708 -9.103 1.00 0.00 N ATOM 296 CA GLU A 19 3.000 -1.276 -10.382 1.00 0.00 C ATOM 297 C GLU A 19 2.669 -2.757 -10.195 1.00 0.00 C ATOM 298 O GLU A 19 3.329 -3.465 -9.462 1.00 0.00 O ATOM 299 CB GLU A 19 4.064 -1.133 -11.476 1.00 0.00 C ATOM 300 CG GLU A 19 4.713 0.250 -11.391 1.00 0.00 C ATOM 301 CD GLU A 19 5.686 0.429 -12.559 1.00 0.00 C ATOM 302 OE1 GLU A 19 5.226 0.737 -13.646 1.00 0.00 O ATOM 303 OE2 GLU A 19 6.875 0.255 -12.348 1.00 0.00 O ATOM 0 H GLU A 19 4.071 -1.351 -8.533 1.00 0.00 H new ATOM 0 HA GLU A 19 2.098 -0.736 -10.671 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.822 -1.908 -11.362 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.611 -1.272 -12.457 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.947 1.025 -11.419 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.241 0.358 -10.444 1.00 0.00 H new ATOM 310 N ILE A 20 1.651 -3.227 -10.866 1.00 0.00 N ATOM 311 CA ILE A 20 1.262 -4.662 -10.752 1.00 0.00 C ATOM 312 C ILE A 20 0.677 -5.114 -12.105 1.00 0.00 C ATOM 313 O ILE A 20 -0.165 -4.438 -12.661 1.00 0.00 O ATOM 314 CB ILE A 20 0.205 -4.805 -9.643 1.00 0.00 C ATOM 315 CG1 ILE A 20 0.826 -4.341 -8.312 1.00 0.00 C ATOM 316 CG2 ILE A 20 -0.253 -6.272 -9.527 1.00 0.00 C ATOM 317 CD1 ILE A 20 -0.021 -4.805 -7.124 1.00 0.00 C ATOM 0 H ILE A 20 1.068 -2.673 -11.493 1.00 0.00 H new ATOM 0 HA ILE A 20 2.125 -5.279 -10.502 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.665 -4.193 -9.883 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.837 -4.737 -8.220 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.908 -3.254 -8.303 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.001 -6.358 -8.739 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.685 -6.594 -10.474 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.603 -6.902 -9.286 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.438 -4.465 -6.195 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.024 -4.387 -7.207 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.080 -5.893 -7.122 1.00 0.00 H new ATOM 329 N PRO A 21 1.104 -6.240 -12.643 1.00 0.00 N ATOM 330 CA PRO A 21 0.582 -6.740 -13.949 1.00 0.00 C ATOM 331 C PRO A 21 -0.813 -7.359 -13.806 1.00 0.00 C ATOM 332 O PRO A 21 -1.738 -7.001 -14.508 1.00 0.00 O ATOM 333 CB PRO A 21 1.610 -7.800 -14.360 1.00 0.00 C ATOM 334 CG PRO A 21 2.128 -8.339 -13.066 1.00 0.00 C ATOM 335 CD PRO A 21 2.119 -7.161 -12.085 1.00 0.00 C ATOM 0 HA PRO A 21 0.466 -5.943 -14.683 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.152 -8.585 -14.962 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.411 -7.366 -14.958 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.501 -9.154 -12.704 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.134 -8.740 -13.185 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.856 -7.482 -11.077 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.098 -6.686 -12.022 1.00 0.00 H new ATOM 343 N ASP A 22 -0.968 -8.282 -12.899 1.00 0.00 N ATOM 344 CA ASP A 22 -2.299 -8.922 -12.709 1.00 0.00 C ATOM 345 C ASP A 22 -3.365 -7.836 -12.557 1.00 0.00 C ATOM 346 O ASP A 22 -4.522 -8.042 -12.863 1.00 0.00 O ATOM 347 CB ASP A 22 -2.272 -9.793 -11.450 1.00 0.00 C ATOM 348 CG ASP A 22 -1.395 -11.021 -11.698 1.00 0.00 C ATOM 349 OD1 ASP A 22 -0.782 -11.084 -12.750 1.00 0.00 O ATOM 350 OD2 ASP A 22 -1.352 -11.878 -10.830 1.00 0.00 O ATOM 0 H ASP A 22 -0.231 -8.621 -12.281 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.532 -9.544 -13.573 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.885 -9.221 -10.607 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.284 -10.102 -11.187 1.00 0.00 H new ATOM 355 N ALA A 23 -2.977 -6.676 -12.084 1.00 0.00 N ATOM 356 CA ALA A 23 -3.952 -5.555 -11.901 1.00 0.00 C ATOM 357 C ALA A 23 -3.633 -4.445 -12.907 1.00 0.00 C ATOM 358 O ALA A 23 -4.254 -3.402 -12.908 1.00 0.00 O ATOM 359 CB ALA A 23 -3.818 -5.005 -10.481 1.00 0.00 C ATOM 0 H ALA A 23 -2.018 -6.456 -11.815 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.968 -5.915 -12.062 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.525 -4.188 -10.339 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.030 -5.797 -9.763 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.803 -4.638 -10.327 1.00 0.00 H new ATOM 365 N ASP A 24 -2.660 -4.666 -13.759 1.00 0.00 N ATOM 366 CA ASP A 24 -2.279 -3.632 -14.772 1.00 0.00 C ATOM 367 C ASP A 24 -2.245 -2.250 -14.110 1.00 0.00 C ATOM 368 O ASP A 24 -2.630 -1.256 -14.693 1.00 0.00 O ATOM 369 CB ASP A 24 -3.292 -3.642 -15.924 1.00 0.00 C ATOM 370 CG ASP A 24 -4.629 -3.057 -15.460 1.00 0.00 C ATOM 371 OD1 ASP A 24 -4.771 -1.846 -15.502 1.00 0.00 O ATOM 372 OD2 ASP A 24 -5.488 -3.831 -15.071 1.00 0.00 O ATOM 0 H ASP A 24 -2.110 -5.524 -13.796 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.289 -3.859 -15.169 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.905 -3.063 -16.763 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.437 -4.662 -16.281 1.00 0.00 H new ATOM 377 N ILE A 25 -1.798 -2.191 -12.884 1.00 0.00 N ATOM 378 CA ILE A 25 -1.745 -0.890 -12.148 1.00 0.00 C ATOM 379 C ILE A 25 -0.371 -0.227 -12.318 1.00 0.00 C ATOM 380 O ILE A 25 0.640 -0.872 -12.503 1.00 0.00 O ATOM 381 CB ILE A 25 -2.064 -1.170 -10.658 1.00 0.00 C ATOM 382 CG1 ILE A 25 -3.576 -1.024 -10.431 1.00 0.00 C ATOM 383 CG2 ILE A 25 -1.309 -0.209 -9.727 1.00 0.00 C ATOM 384 CD1 ILE A 25 -3.947 -1.533 -9.043 1.00 0.00 C ATOM 0 H ILE A 25 -1.464 -2.996 -12.354 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.480 -0.194 -12.552 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.741 -2.184 -10.424 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.868 0.021 -10.534 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.122 -1.584 -11.190 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.558 -0.436 -8.690 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.236 -0.326 -9.876 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.597 0.818 -9.953 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.021 -1.425 -8.891 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.672 -2.584 -8.955 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.414 -0.954 -8.289 1.00 0.00 H new ATOM 396 N LYS A 26 -0.362 1.076 -12.237 1.00 0.00 N ATOM 397 CA LYS A 26 0.890 1.867 -12.365 1.00 0.00 C ATOM 398 C LYS A 26 0.559 3.274 -11.872 1.00 0.00 C ATOM 399 O LYS A 26 0.222 4.147 -12.647 1.00 0.00 O ATOM 400 CB LYS A 26 1.343 1.910 -13.829 1.00 0.00 C ATOM 401 CG LYS A 26 0.122 2.014 -14.747 1.00 0.00 C ATOM 402 CD LYS A 26 0.568 2.448 -16.145 1.00 0.00 C ATOM 403 CE LYS A 26 -0.587 2.267 -17.131 1.00 0.00 C ATOM 404 NZ LYS A 26 -0.784 0.815 -17.403 1.00 0.00 N ATOM 0 H LYS A 26 -1.198 1.639 -12.083 1.00 0.00 H new ATOM 0 HA LYS A 26 1.700 1.424 -11.786 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.004 2.762 -13.990 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.914 1.013 -14.069 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.390 1.053 -14.799 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.590 2.733 -14.342 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.886 3.490 -16.129 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.427 1.858 -16.463 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.500 2.698 -16.721 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.373 2.796 -18.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.294 0.696 -18.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.142 0.345 -17.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.337 0.389 -16.632 1.00 0.00 H new ATOM 418 N GLU A 27 0.590 3.482 -10.579 1.00 0.00 N ATOM 419 CA GLU A 27 0.208 4.814 -10.013 1.00 0.00 C ATOM 420 C GLU A 27 1.255 5.290 -8.985 1.00 0.00 C ATOM 421 O GLU A 27 1.994 4.497 -8.434 1.00 0.00 O ATOM 422 CB GLU A 27 -1.151 4.628 -9.315 1.00 0.00 C ATOM 423 CG GLU A 27 -2.298 4.857 -10.307 1.00 0.00 C ATOM 424 CD GLU A 27 -2.429 6.351 -10.606 1.00 0.00 C ATOM 425 OE1 GLU A 27 -3.005 7.049 -9.789 1.00 0.00 O ATOM 426 OE2 GLU A 27 -1.950 6.771 -11.646 1.00 0.00 O ATOM 0 H GLU A 27 0.865 2.784 -9.888 1.00 0.00 H new ATOM 0 HA GLU A 27 0.154 5.562 -10.804 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.218 3.623 -8.898 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.238 5.326 -8.482 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.110 4.307 -11.229 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.231 4.476 -9.893 1.00 0.00 H new ATOM 433 N PRO A 28 1.309 6.584 -8.722 1.00 0.00 N ATOM 434 CA PRO A 28 2.267 7.176 -7.738 1.00 0.00 C ATOM 435 C PRO A 28 1.787 7.033 -6.285 1.00 0.00 C ATOM 436 O PRO A 28 0.624 6.806 -6.021 1.00 0.00 O ATOM 437 CB PRO A 28 2.303 8.651 -8.141 1.00 0.00 C ATOM 438 CG PRO A 28 0.925 8.926 -8.641 1.00 0.00 C ATOM 439 CD PRO A 28 0.468 7.637 -9.336 1.00 0.00 C ATOM 0 HA PRO A 28 3.237 6.680 -7.763 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.554 9.289 -7.294 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.051 8.835 -8.912 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.256 9.186 -7.821 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.921 9.767 -9.335 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.593 7.448 -9.170 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.618 7.690 -10.414 1.00 0.00 H new ATOM 447 N VAL A 29 2.686 7.180 -5.346 1.00 0.00 N ATOM 448 CA VAL A 29 2.315 7.073 -3.899 1.00 0.00 C ATOM 449 C VAL A 29 3.042 8.179 -3.121 1.00 0.00 C ATOM 450 O VAL A 29 4.228 8.090 -2.877 1.00 0.00 O ATOM 451 CB VAL A 29 2.754 5.702 -3.369 1.00 0.00 C ATOM 452 CG1 VAL A 29 2.050 5.405 -2.043 1.00 0.00 C ATOM 453 CG2 VAL A 29 2.392 4.620 -4.390 1.00 0.00 C ATOM 0 H VAL A 29 3.673 7.372 -5.520 1.00 0.00 H new ATOM 0 HA VAL A 29 1.237 7.182 -3.777 1.00 0.00 H new ATOM 0 HB VAL A 29 3.832 5.710 -3.209 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.367 4.430 -1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.310 6.172 -1.313 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.971 5.401 -2.197 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.704 3.646 -4.014 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.314 4.618 -4.552 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.900 4.824 -5.332 1.00 0.00 H new ATOM 463 N TYR A 30 2.354 9.230 -2.738 1.00 0.00 N ATOM 464 CA TYR A 30 3.048 10.326 -1.991 1.00 0.00 C ATOM 465 C TYR A 30 3.272 9.888 -0.534 1.00 0.00 C ATOM 466 O TYR A 30 2.679 8.931 -0.071 1.00 0.00 O ATOM 467 CB TYR A 30 2.211 11.634 -2.015 1.00 0.00 C ATOM 468 CG TYR A 30 1.091 11.539 -3.023 1.00 0.00 C ATOM 469 CD1 TYR A 30 1.348 11.775 -4.377 1.00 0.00 C ATOM 470 CD2 TYR A 30 -0.210 11.233 -2.599 1.00 0.00 C ATOM 471 CE1 TYR A 30 0.309 11.705 -5.307 1.00 0.00 C ATOM 472 CE2 TYR A 30 -1.252 11.162 -3.529 1.00 0.00 C ATOM 473 CZ TYR A 30 -0.990 11.398 -4.886 1.00 0.00 C ATOM 474 OH TYR A 30 -2.009 11.332 -5.809 1.00 0.00 O ATOM 0 H TYR A 30 1.359 9.375 -2.907 1.00 0.00 H new ATOM 0 HA TYR A 30 4.005 10.521 -2.475 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.799 11.825 -1.024 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.855 12.478 -2.260 1.00 0.00 H new ATOM 0 HD1 TYR A 30 2.350 12.011 -4.703 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.408 11.052 -1.553 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.508 11.888 -6.353 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.254 10.926 -3.203 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.091 12.194 -6.267 1.00 0.00 H new ATOM 484 N PRO A 31 4.106 10.597 0.194 1.00 0.00 N ATOM 485 CA PRO A 31 4.385 10.285 1.616 1.00 0.00 C ATOM 486 C PRO A 31 3.420 11.011 2.558 1.00 0.00 C ATOM 487 O PRO A 31 3.359 12.224 2.577 1.00 0.00 O ATOM 488 CB PRO A 31 5.805 10.805 1.792 1.00 0.00 C ATOM 489 CG PRO A 31 5.853 12.031 0.934 1.00 0.00 C ATOM 490 CD PRO A 31 4.893 11.771 -0.245 1.00 0.00 C ATOM 0 HA PRO A 31 4.267 9.227 1.852 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.017 11.040 2.835 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.542 10.067 1.475 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.547 12.912 1.498 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.866 12.217 0.577 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.253 12.632 -0.438 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.437 11.566 -1.167 1.00 0.00 H new ATOM 498 N GLY A 32 2.670 10.287 3.341 1.00 0.00 N ATOM 499 CA GLY A 32 1.720 10.962 4.271 1.00 0.00 C ATOM 500 C GLY A 32 0.796 9.937 4.926 1.00 0.00 C ATOM 501 O GLY A 32 0.905 8.749 4.694 1.00 0.00 O ATOM 0 H GLY A 32 2.672 9.268 3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.275 11.503 5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.129 11.698 3.726 1.00 0.00 H new ATOM 505 N PRO A 33 -0.111 10.405 5.744 1.00 0.00 N ATOM 506 CA PRO A 33 -1.083 9.535 6.455 1.00 0.00 C ATOM 507 C PRO A 33 -2.263 9.159 5.562 1.00 0.00 C ATOM 508 O PRO A 33 -3.016 10.005 5.131 1.00 0.00 O ATOM 509 CB PRO A 33 -1.534 10.408 7.629 1.00 0.00 C ATOM 510 CG PRO A 33 -1.453 11.811 7.110 1.00 0.00 C ATOM 511 CD PRO A 33 -0.311 11.828 6.079 1.00 0.00 C ATOM 0 HA PRO A 33 -0.651 8.584 6.765 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.548 10.159 7.942 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.890 10.269 8.497 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.395 12.110 6.651 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.256 12.514 7.920 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.577 12.412 5.198 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.594 12.272 6.493 1.00 0.00 H new ATOM 519 N ALA A 34 -2.416 7.895 5.277 1.00 0.00 N ATOM 520 CA ALA A 34 -3.544 7.453 4.404 1.00 0.00 C ATOM 521 C ALA A 34 -4.846 8.123 4.860 1.00 0.00 C ATOM 522 O ALA A 34 -5.579 7.589 5.669 1.00 0.00 O ATOM 523 CB ALA A 34 -3.687 5.924 4.486 1.00 0.00 C ATOM 0 H ALA A 34 -1.808 7.147 5.611 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.338 7.741 3.373 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.510 5.601 3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.763 5.454 4.151 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.890 5.632 5.517 1.00 0.00 H new ATOM 529 N THR A 35 -5.131 9.286 4.335 1.00 0.00 N ATOM 530 CA THR A 35 -6.382 10.019 4.707 1.00 0.00 C ATOM 531 C THR A 35 -7.222 10.213 3.438 1.00 0.00 C ATOM 532 O THR A 35 -6.692 10.246 2.345 1.00 0.00 O ATOM 533 CB THR A 35 -6.002 11.389 5.291 1.00 0.00 C ATOM 534 OG1 THR A 35 -4.877 11.900 4.591 1.00 0.00 O ATOM 535 CG2 THR A 35 -5.651 11.242 6.775 1.00 0.00 C ATOM 0 H THR A 35 -4.543 9.767 3.655 1.00 0.00 H new ATOM 0 HA THR A 35 -6.952 9.457 5.447 1.00 0.00 H new ATOM 0 HB THR A 35 -6.845 12.072 5.187 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.082 11.376 4.823 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.382 12.216 7.184 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.511 10.847 7.315 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.809 10.558 6.884 1.00 0.00 H new ATOM 543 N PRO A 36 -8.520 10.340 3.569 1.00 0.00 N ATOM 544 CA PRO A 36 -9.422 10.530 2.394 1.00 0.00 C ATOM 545 C PRO A 36 -9.079 11.807 1.612 1.00 0.00 C ATOM 546 O PRO A 36 -9.012 11.801 0.399 1.00 0.00 O ATOM 547 CB PRO A 36 -10.834 10.615 3.013 1.00 0.00 C ATOM 548 CG PRO A 36 -10.609 10.960 4.453 1.00 0.00 C ATOM 549 CD PRO A 36 -9.277 10.318 4.832 1.00 0.00 C ATOM 0 HA PRO A 36 -9.329 9.720 1.670 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.437 11.374 2.515 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.366 9.669 2.913 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.577 12.040 4.596 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.418 10.580 5.077 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.768 10.879 5.616 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.411 9.302 5.203 1.00 0.00 H new ATOM 557 N GLU A 37 -8.860 12.897 2.296 1.00 0.00 N ATOM 558 CA GLU A 37 -8.523 14.162 1.585 1.00 0.00 C ATOM 559 C GLU A 37 -7.196 13.997 0.839 1.00 0.00 C ATOM 560 O GLU A 37 -6.954 14.640 -0.162 1.00 0.00 O ATOM 561 CB GLU A 37 -8.413 15.310 2.596 1.00 0.00 C ATOM 562 CG GLU A 37 -7.350 14.980 3.650 1.00 0.00 C ATOM 563 CD GLU A 37 -5.946 15.260 3.101 1.00 0.00 C ATOM 564 OE1 GLU A 37 -5.848 15.883 2.056 1.00 0.00 O ATOM 565 OE2 GLU A 37 -4.992 14.847 3.738 1.00 0.00 O ATOM 0 H GLU A 37 -8.900 12.966 3.313 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.310 14.392 0.867 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.152 16.235 2.082 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.377 15.474 3.078 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.522 15.575 4.547 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.431 13.933 3.942 1.00 0.00 H new ATOM 572 N GLN A 38 -6.331 13.142 1.320 1.00 0.00 N ATOM 573 CA GLN A 38 -5.017 12.941 0.636 1.00 0.00 C ATOM 574 C GLN A 38 -5.168 11.888 -0.470 1.00 0.00 C ATOM 575 O GLN A 38 -5.076 12.191 -1.642 1.00 0.00 O ATOM 576 CB GLN A 38 -3.972 12.474 1.665 1.00 0.00 C ATOM 577 CG GLN A 38 -2.561 12.842 1.190 1.00 0.00 C ATOM 578 CD GLN A 38 -2.341 12.317 -0.230 1.00 0.00 C ATOM 579 OE1 GLN A 38 -2.623 11.074 -0.505 1.00 0.00 O flip ATOM 580 NE2 GLN A 38 -1.908 13.048 -1.100 1.00 0.00 N flip ATOM 0 H GLN A 38 -6.476 12.575 2.155 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.689 13.880 0.191 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.171 12.937 2.632 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.047 11.396 1.806 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.430 13.924 1.212 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.818 12.417 1.864 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.687 14.020 -0.886 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.766 12.689 -2.044 1.00 0.00 H new ATOM 589 N LEU A 39 -5.394 10.651 -0.106 1.00 0.00 N ATOM 590 CA LEU A 39 -5.542 9.583 -1.137 1.00 0.00 C ATOM 591 C LEU A 39 -6.486 10.058 -2.240 1.00 0.00 C ATOM 592 O LEU A 39 -6.543 9.483 -3.309 1.00 0.00 O ATOM 593 CB LEU A 39 -6.116 8.313 -0.503 1.00 0.00 C ATOM 594 CG LEU A 39 -5.260 7.878 0.695 1.00 0.00 C ATOM 595 CD1 LEU A 39 -6.058 6.901 1.566 1.00 0.00 C ATOM 596 CD2 LEU A 39 -3.981 7.187 0.205 1.00 0.00 C ATOM 0 H LEU A 39 -5.482 10.336 0.860 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.560 9.366 -1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.141 8.492 -0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.150 7.513 -1.243 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.992 8.760 1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.450 6.592 2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.963 7.390 1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.328 6.025 0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.381 6.882 1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.245 6.309 -0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.407 7.879 -0.412 1.00 0.00 H new ATOM 608 N ASN A 40 -7.215 11.111 -2.003 1.00 0.00 N ATOM 609 CA ASN A 40 -8.131 11.618 -3.056 1.00 0.00 C ATOM 610 C ASN A 40 -7.271 12.066 -4.230 1.00 0.00 C ATOM 611 O ASN A 40 -7.697 12.087 -5.368 1.00 0.00 O ATOM 612 CB ASN A 40 -8.927 12.813 -2.508 1.00 0.00 C ATOM 613 CG ASN A 40 -10.229 12.328 -1.860 1.00 0.00 C ATOM 614 OD1 ASN A 40 -10.338 11.181 -1.472 1.00 0.00 O ATOM 615 ND2 ASN A 40 -11.227 13.158 -1.728 1.00 0.00 N ATOM 0 H ASN A 40 -7.216 11.639 -1.130 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.833 10.845 -3.368 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.327 13.354 -1.776 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.151 13.511 -3.315 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -12.098 12.844 -1.300 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -11.136 14.120 -2.053 1.00 0.00 H new ATOM 622 N ARG A 41 -6.050 12.405 -3.947 1.00 0.00 N ATOM 623 CA ARG A 41 -5.121 12.838 -5.023 1.00 0.00 C ATOM 624 C ARG A 41 -4.593 11.581 -5.710 1.00 0.00 C ATOM 625 O ARG A 41 -4.123 11.614 -6.830 1.00 0.00 O ATOM 626 CB ARG A 41 -3.954 13.639 -4.389 1.00 0.00 C ATOM 627 CG ARG A 41 -3.739 14.968 -5.131 1.00 0.00 C ATOM 628 CD ARG A 41 -4.793 15.983 -4.685 1.00 0.00 C ATOM 629 NE ARG A 41 -4.860 17.095 -5.674 1.00 0.00 N ATOM 630 CZ ARG A 41 -5.875 17.916 -5.665 1.00 0.00 C ATOM 631 NH1 ARG A 41 -6.830 17.764 -4.789 1.00 0.00 N ATOM 632 NH2 ARG A 41 -5.934 18.888 -6.535 1.00 0.00 N ATOM 0 H ARG A 41 -5.651 12.401 -3.008 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.625 13.475 -5.750 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.169 13.834 -3.338 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.040 13.046 -4.422 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.740 15.353 -4.926 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.805 14.810 -6.207 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.766 15.499 -4.599 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.543 16.374 -3.699 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.113 17.215 -6.358 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.784 17.003 -4.111 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.623 18.406 -4.782 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.188 19.005 -7.220 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.726 19.530 -6.529 1.00 0.00 H new ATOM 646 N GLY A 42 -4.669 10.471 -5.031 1.00 0.00 N ATOM 647 CA GLY A 42 -4.173 9.197 -5.619 1.00 0.00 C ATOM 648 C GLY A 42 -3.892 8.187 -4.503 1.00 0.00 C ATOM 649 O GLY A 42 -4.779 7.802 -3.768 1.00 0.00 O ATOM 0 H GLY A 42 -5.055 10.392 -4.090 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.912 8.793 -6.311 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.265 9.380 -6.194 1.00 0.00 H new ATOM 653 N VAL A 43 -2.662 7.747 -4.385 1.00 0.00 N ATOM 654 CA VAL A 43 -2.297 6.741 -3.334 1.00 0.00 C ATOM 655 C VAL A 43 -1.255 7.336 -2.372 1.00 0.00 C ATOM 656 O VAL A 43 -0.545 8.264 -2.702 1.00 0.00 O ATOM 657 CB VAL A 43 -1.705 5.517 -4.038 1.00 0.00 C ATOM 658 CG1 VAL A 43 -1.678 4.313 -3.092 1.00 0.00 C ATOM 659 CG2 VAL A 43 -2.554 5.179 -5.263 1.00 0.00 C ATOM 0 H VAL A 43 -1.887 8.044 -4.977 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.180 6.463 -2.758 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.684 5.747 -4.343 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.254 3.453 -3.610 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.067 4.549 -2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.693 4.079 -2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.135 4.308 -5.767 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.575 4.961 -4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.558 6.027 -5.948 1.00 0.00 H new ATOM 669 N SER A 44 -1.162 6.795 -1.183 1.00 0.00 N ATOM 670 CA SER A 44 -0.172 7.300 -0.186 1.00 0.00 C ATOM 671 C SER A 44 0.123 6.179 0.817 1.00 0.00 C ATOM 672 O SER A 44 -0.656 5.258 0.961 1.00 0.00 O ATOM 673 CB SER A 44 -0.754 8.507 0.548 1.00 0.00 C ATOM 674 OG SER A 44 0.280 9.158 1.274 1.00 0.00 O ATOM 0 H SER A 44 -1.736 6.017 -0.858 1.00 0.00 H new ATOM 0 HA SER A 44 0.746 7.602 -0.690 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.205 9.198 -0.165 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.545 8.188 1.226 1.00 0.00 H new ATOM 0 HG SER A 44 1.116 9.111 0.765 1.00 0.00 H new ATOM 680 N PHE A 45 1.234 6.230 1.509 1.00 0.00 N ATOM 681 CA PHE A 45 1.528 5.132 2.481 1.00 0.00 C ATOM 682 C PHE A 45 0.370 5.012 3.477 1.00 0.00 C ATOM 683 O PHE A 45 -0.537 5.820 3.490 1.00 0.00 O ATOM 684 CB PHE A 45 2.824 5.413 3.258 1.00 0.00 C ATOM 685 CG PHE A 45 4.043 5.195 2.374 1.00 0.00 C ATOM 686 CD1 PHE A 45 4.280 3.946 1.771 1.00 0.00 C ATOM 687 CD2 PHE A 45 4.940 6.246 2.160 1.00 0.00 C ATOM 688 CE1 PHE A 45 5.407 3.764 0.959 1.00 0.00 C ATOM 689 CE2 PHE A 45 6.066 6.062 1.351 1.00 0.00 C ATOM 690 CZ PHE A 45 6.299 4.821 0.749 1.00 0.00 C ATOM 0 H PHE A 45 1.936 6.967 1.446 1.00 0.00 H new ATOM 0 HA PHE A 45 1.649 4.204 1.922 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.816 6.438 3.628 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.880 4.760 4.129 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.594 3.128 1.934 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.762 7.206 2.622 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.588 2.806 0.494 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.755 6.878 1.191 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.167 4.679 0.122 1.00 0.00 H new ATOM 700 N ALA A 46 0.400 4.010 4.320 1.00 0.00 N ATOM 701 CA ALA A 46 -0.694 3.843 5.321 1.00 0.00 C ATOM 702 C ALA A 46 -0.422 4.754 6.517 1.00 0.00 C ATOM 703 O ALA A 46 -1.283 4.988 7.342 1.00 0.00 O ATOM 704 CB ALA A 46 -0.751 2.388 5.794 1.00 0.00 C ATOM 0 H ALA A 46 1.134 3.303 4.357 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.647 4.107 4.862 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.552 2.274 6.524 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.941 1.736 4.942 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.200 2.117 6.253 1.00 0.00 H new ATOM 710 N GLU A 47 0.776 5.265 6.623 1.00 0.00 N ATOM 711 CA GLU A 47 1.115 6.159 7.774 1.00 0.00 C ATOM 712 C GLU A 47 2.123 7.226 7.332 1.00 0.00 C ATOM 713 O GLU A 47 2.976 6.987 6.500 1.00 0.00 O ATOM 714 CB GLU A 47 1.720 5.325 8.902 1.00 0.00 C ATOM 715 CG GLU A 47 0.645 4.418 9.506 1.00 0.00 C ATOM 716 CD GLU A 47 1.203 3.718 10.746 1.00 0.00 C ATOM 717 OE1 GLU A 47 2.109 2.916 10.594 1.00 0.00 O ATOM 718 OE2 GLU A 47 0.713 3.997 11.829 1.00 0.00 O ATOM 0 H GLU A 47 1.536 5.103 5.963 1.00 0.00 H new ATOM 0 HA GLU A 47 0.207 6.650 8.124 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.545 4.723 8.520 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.132 5.979 9.671 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.234 5.006 9.772 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.324 3.679 8.772 1.00 0.00 H new ATOM 725 N GLU A 48 2.019 8.405 7.884 1.00 0.00 N ATOM 726 CA GLU A 48 2.952 9.508 7.509 1.00 0.00 C ATOM 727 C GLU A 48 4.400 9.143 7.861 1.00 0.00 C ATOM 728 O GLU A 48 5.334 9.672 7.292 1.00 0.00 O ATOM 729 CB GLU A 48 2.537 10.786 8.254 1.00 0.00 C ATOM 730 CG GLU A 48 2.948 10.702 9.735 1.00 0.00 C ATOM 731 CD GLU A 48 4.399 11.162 9.903 1.00 0.00 C ATOM 732 OE1 GLU A 48 4.650 12.344 9.730 1.00 0.00 O ATOM 733 OE2 GLU A 48 5.235 10.325 10.203 1.00 0.00 O ATOM 0 H GLU A 48 1.321 8.654 8.585 1.00 0.00 H new ATOM 0 HA GLU A 48 2.898 9.670 6.432 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.005 11.654 7.789 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.459 10.926 8.177 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.288 11.324 10.340 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.838 9.679 10.094 1.00 0.00 H new ATOM 740 N ASN A 49 4.600 8.265 8.808 1.00 0.00 N ATOM 741 CA ASN A 49 5.995 7.896 9.204 1.00 0.00 C ATOM 742 C ASN A 49 6.503 6.732 8.349 1.00 0.00 C ATOM 743 O ASN A 49 7.596 6.240 8.547 1.00 0.00 O ATOM 744 CB ASN A 49 6.008 7.477 10.676 1.00 0.00 C ATOM 745 CG ASN A 49 7.452 7.276 11.136 1.00 0.00 C ATOM 746 OD1 ASN A 49 8.000 6.200 11.004 1.00 0.00 O ATOM 747 ND2 ASN A 49 8.099 8.274 11.672 1.00 0.00 N ATOM 0 H ASN A 49 3.861 7.787 9.324 1.00 0.00 H new ATOM 0 HA ASN A 49 6.644 8.759 9.052 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.523 8.239 11.286 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.441 6.555 10.808 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.064 8.150 11.980 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.640 9.178 11.784 1.00 0.00 H new ATOM 754 N GLU A 50 5.728 6.288 7.402 1.00 0.00 N ATOM 755 CA GLU A 50 6.181 5.157 6.543 1.00 0.00 C ATOM 756 C GLU A 50 7.409 5.579 5.739 1.00 0.00 C ATOM 757 O GLU A 50 7.589 6.733 5.404 1.00 0.00 O ATOM 758 CB GLU A 50 5.052 4.753 5.591 1.00 0.00 C ATOM 759 CG GLU A 50 5.335 3.364 5.009 1.00 0.00 C ATOM 760 CD GLU A 50 5.188 2.305 6.104 1.00 0.00 C ATOM 761 OE1 GLU A 50 4.064 1.906 6.365 1.00 0.00 O ATOM 762 OE2 GLU A 50 6.199 1.910 6.659 1.00 0.00 O ATOM 0 H GLU A 50 4.802 6.657 7.184 1.00 0.00 H new ATOM 0 HA GLU A 50 6.442 4.307 7.173 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.100 4.748 6.123 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.964 5.483 4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.645 3.154 4.192 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.342 3.332 4.592 1.00 0.00 H new ATOM 769 N SER A 51 8.254 4.638 5.430 1.00 0.00 N ATOM 770 CA SER A 51 9.483 4.935 4.651 1.00 0.00 C ATOM 771 C SER A 51 9.836 3.707 3.810 1.00 0.00 C ATOM 772 O SER A 51 9.411 2.606 4.101 1.00 0.00 O ATOM 773 CB SER A 51 10.626 5.250 5.618 1.00 0.00 C ATOM 774 OG SER A 51 10.391 6.512 6.229 1.00 0.00 O ATOM 0 H SER A 51 8.141 3.658 5.690 1.00 0.00 H new ATOM 0 HA SER A 51 9.321 5.793 3.998 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.699 4.473 6.379 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.576 5.263 5.084 1.00 0.00 H new ATOM 0 HG SER A 51 11.121 6.716 6.850 1.00 0.00 H new ATOM 780 N LEU A 52 10.610 3.879 2.777 1.00 0.00 N ATOM 781 CA LEU A 52 10.985 2.712 1.937 1.00 0.00 C ATOM 782 C LEU A 52 11.924 1.826 2.752 1.00 0.00 C ATOM 783 O LEU A 52 12.325 0.763 2.322 1.00 0.00 O ATOM 784 CB LEU A 52 11.686 3.195 0.647 1.00 0.00 C ATOM 785 CG LEU A 52 12.390 4.552 0.893 1.00 0.00 C ATOM 786 CD1 LEU A 52 13.608 4.687 -0.030 1.00 0.00 C ATOM 787 CD2 LEU A 52 11.416 5.711 0.609 1.00 0.00 C ATOM 0 H LEU A 52 10.998 4.774 2.479 1.00 0.00 H new ATOM 0 HA LEU A 52 10.097 2.149 1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.415 2.453 0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 52 10.955 3.297 -0.156 1.00 0.00 H new ATOM 0 HG LEU A 52 12.713 4.592 1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.097 5.645 0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 52 14.310 3.878 0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.284 4.635 -1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.920 6.661 0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 52 11.085 5.662 -0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.553 5.631 1.269 1.00 0.00 H new ATOM 799 N ASP A 53 12.280 2.267 3.932 1.00 0.00 N ATOM 800 CA ASP A 53 13.199 1.470 4.793 1.00 0.00 C ATOM 801 C ASP A 53 12.393 0.701 5.846 1.00 0.00 C ATOM 802 O ASP A 53 12.894 -0.214 6.467 1.00 0.00 O ATOM 803 CB ASP A 53 14.187 2.416 5.491 1.00 0.00 C ATOM 804 CG ASP A 53 15.299 2.807 4.513 1.00 0.00 C ATOM 805 OD1 ASP A 53 15.056 2.758 3.318 1.00 0.00 O ATOM 806 OD2 ASP A 53 16.375 3.149 4.977 1.00 0.00 O ATOM 0 H ASP A 53 11.970 3.151 4.336 1.00 0.00 H new ATOM 0 HA ASP A 53 13.746 0.758 4.175 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.667 3.307 5.842 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.614 1.930 6.368 1.00 0.00 H new ATOM 811 N ASP A 54 11.151 1.053 6.060 1.00 0.00 N ATOM 812 CA ASP A 54 10.350 0.317 7.077 1.00 0.00 C ATOM 813 C ASP A 54 10.265 -1.160 6.679 1.00 0.00 C ATOM 814 O ASP A 54 9.577 -1.520 5.745 1.00 0.00 O ATOM 815 CB ASP A 54 8.940 0.911 7.151 1.00 0.00 C ATOM 816 CG ASP A 54 8.983 2.234 7.919 1.00 0.00 C ATOM 817 OD1 ASP A 54 9.471 2.232 9.037 1.00 0.00 O ATOM 818 OD2 ASP A 54 8.527 3.226 7.376 1.00 0.00 O ATOM 0 H ASP A 54 10.664 1.809 5.580 1.00 0.00 H new ATOM 0 HA ASP A 54 10.828 0.406 8.053 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.549 1.074 6.147 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.265 0.213 7.646 1.00 0.00 H new ATOM 823 N GLN A 55 10.960 -2.017 7.383 1.00 0.00 N ATOM 824 CA GLN A 55 10.923 -3.474 7.051 1.00 0.00 C ATOM 825 C GLN A 55 9.474 -3.905 6.819 1.00 0.00 C ATOM 826 O GLN A 55 9.205 -4.926 6.219 1.00 0.00 O ATOM 827 CB GLN A 55 11.516 -4.274 8.214 1.00 0.00 C ATOM 828 CG GLN A 55 11.843 -5.695 7.747 1.00 0.00 C ATOM 829 CD GLN A 55 12.165 -6.569 8.960 1.00 0.00 C ATOM 830 OE1 GLN A 55 13.316 -6.853 9.229 1.00 0.00 O ATOM 831 NE2 GLN A 55 11.191 -7.011 9.708 1.00 0.00 N ATOM 0 H GLN A 55 11.553 -1.770 8.175 1.00 0.00 H new ATOM 0 HA GLN A 55 11.505 -3.659 6.148 1.00 0.00 H new ATOM 0 HB2 GLN A 55 12.418 -3.785 8.582 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.810 -4.307 9.044 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.999 -6.112 7.199 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.691 -5.678 7.062 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.225 -6.772 9.482 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.395 -7.595 10.519 1.00 0.00 H new ATOM 840 N ASN A 56 8.541 -3.116 7.287 1.00 0.00 N ATOM 841 CA ASN A 56 7.093 -3.441 7.105 1.00 0.00 C ATOM 842 C ASN A 56 6.397 -2.227 6.495 1.00 0.00 C ATOM 843 O ASN A 56 6.044 -1.290 7.184 1.00 0.00 O ATOM 844 CB ASN A 56 6.467 -3.755 8.466 1.00 0.00 C ATOM 845 CG ASN A 56 4.959 -3.960 8.300 1.00 0.00 C ATOM 846 OD1 ASN A 56 4.239 -3.033 7.988 1.00 0.00 O ATOM 847 ND2 ASN A 56 4.449 -5.144 8.498 1.00 0.00 N ATOM 0 H ASN A 56 8.723 -2.250 7.794 1.00 0.00 H new ATOM 0 HA ASN A 56 6.982 -4.306 6.450 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.922 -4.650 8.889 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.659 -2.940 9.163 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.445 -5.291 8.391 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.054 -5.922 8.760 1.00 0.00 H new ATOM 854 N ILE A 57 6.198 -2.230 5.203 1.00 0.00 N ATOM 855 CA ILE A 57 5.529 -1.070 4.546 1.00 0.00 C ATOM 856 C ILE A 57 4.036 -1.354 4.422 1.00 0.00 C ATOM 857 O ILE A 57 3.607 -2.489 4.371 1.00 0.00 O ATOM 858 CB ILE A 57 6.115 -0.857 3.148 1.00 0.00 C ATOM 859 CG1 ILE A 57 7.584 -0.446 3.266 1.00 0.00 C ATOM 860 CG2 ILE A 57 5.334 0.247 2.426 1.00 0.00 C ATOM 861 CD1 ILE A 57 8.241 -0.504 1.887 1.00 0.00 C ATOM 0 H ILE A 57 6.470 -2.986 4.575 1.00 0.00 H new ATOM 0 HA ILE A 57 5.689 -0.175 5.147 1.00 0.00 H new ATOM 0 HB ILE A 57 6.041 -1.785 2.581 1.00 0.00 H new ATOM 0 HG12 ILE A 57 7.659 0.562 3.674 1.00 0.00 H new ATOM 0 HG13 ILE A 57 8.104 -1.110 3.957 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.752 0.397 1.431 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.287 -0.045 2.339 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.406 1.175 2.994 1.00 0.00 H new ATOM 0 HD11 ILE A 57 9.288 -0.211 1.970 1.00 0.00 H new ATOM 0 HD12 ILE A 57 8.178 -1.520 1.496 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.726 0.178 1.210 1.00 0.00 H new ATOM 873 N SER A 58 3.244 -0.323 4.368 1.00 0.00 N ATOM 874 CA SER A 58 1.773 -0.503 4.242 1.00 0.00 C ATOM 875 C SER A 58 1.223 0.632 3.384 1.00 0.00 C ATOM 876 O SER A 58 1.335 1.790 3.733 1.00 0.00 O ATOM 877 CB SER A 58 1.137 -0.466 5.632 1.00 0.00 C ATOM 878 OG SER A 58 1.513 -1.633 6.353 1.00 0.00 O ATOM 0 H SER A 58 3.556 0.647 4.406 1.00 0.00 H new ATOM 0 HA SER A 58 1.544 -1.462 3.777 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.460 0.426 6.168 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.052 -0.411 5.546 1.00 0.00 H new ATOM 0 HG SER A 58 1.108 -1.611 7.245 1.00 0.00 H new ATOM 884 N ILE A 59 0.651 0.310 2.251 1.00 0.00 N ATOM 885 CA ILE A 59 0.107 1.366 1.342 1.00 0.00 C ATOM 886 C ILE A 59 -1.414 1.274 1.278 1.00 0.00 C ATOM 887 O ILE A 59 -2.001 0.250 1.559 1.00 0.00 O ATOM 888 CB ILE A 59 0.682 1.164 -0.063 1.00 0.00 C ATOM 889 CG1 ILE A 59 2.201 1.360 -0.027 1.00 0.00 C ATOM 890 CG2 ILE A 59 0.060 2.181 -1.022 1.00 0.00 C ATOM 891 CD1 ILE A 59 2.822 0.793 -1.306 1.00 0.00 C ATOM 0 H ILE A 59 0.537 -0.646 1.914 1.00 0.00 H new ATOM 0 HA ILE A 59 0.389 2.346 1.726 1.00 0.00 H new ATOM 0 HB ILE A 59 0.453 0.155 -0.406 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.439 2.420 0.066 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.622 0.861 0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.470 2.036 -2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.021 2.042 -1.049 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.287 3.190 -0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.903 0.933 -1.279 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.596 -0.271 -1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.410 1.312 -2.171 1.00 0.00 H new ATOM 903 N ALA A 60 -2.049 2.349 0.897 1.00 0.00 N ATOM 904 CA ALA A 60 -3.539 2.365 0.793 1.00 0.00 C ATOM 905 C ALA A 60 -3.932 3.139 -0.465 1.00 0.00 C ATOM 906 O ALA A 60 -3.374 4.177 -0.759 1.00 0.00 O ATOM 907 CB ALA A 60 -4.128 3.051 2.028 1.00 0.00 C ATOM 0 H ALA A 60 -1.594 3.228 0.650 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.923 1.346 0.735 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.215 3.063 1.953 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.832 2.505 2.924 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.757 4.074 2.088 1.00 0.00 H new ATOM 913 N GLY A 61 -4.879 2.642 -1.219 1.00 0.00 N ATOM 914 CA GLY A 61 -5.296 3.352 -2.472 1.00 0.00 C ATOM 915 C GLY A 61 -6.810 3.247 -2.655 1.00 0.00 C ATOM 916 O GLY A 61 -7.449 2.349 -2.145 1.00 0.00 O ATOM 0 H GLY A 61 -5.383 1.777 -1.024 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.000 4.400 -2.422 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.787 2.918 -3.332 1.00 0.00 H new ATOM 920 N HIS A 62 -7.386 4.165 -3.386 1.00 0.00 N ATOM 921 CA HIS A 62 -8.865 4.121 -3.608 1.00 0.00 C ATOM 922 C HIS A 62 -9.208 2.960 -4.551 1.00 0.00 C ATOM 923 O HIS A 62 -8.342 2.259 -5.036 1.00 0.00 O ATOM 924 CB HIS A 62 -9.341 5.448 -4.234 1.00 0.00 C ATOM 925 CG HIS A 62 -9.666 6.452 -3.157 1.00 0.00 C ATOM 926 ND1 HIS A 62 -10.931 6.548 -2.598 1.00 0.00 N ATOM 927 CD2 HIS A 62 -8.909 7.414 -2.537 1.00 0.00 C ATOM 928 CE1 HIS A 62 -10.898 7.537 -1.686 1.00 0.00 C ATOM 929 NE2 HIS A 62 -9.688 8.098 -1.609 1.00 0.00 N ATOM 0 H HIS A 62 -6.901 4.940 -3.838 1.00 0.00 H new ATOM 0 HA HIS A 62 -9.366 3.975 -2.651 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -8.567 5.846 -4.889 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -10.221 5.271 -4.852 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -7.866 7.610 -2.739 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -11.746 7.840 -1.089 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -9.398 8.863 -1.001 1.00 0.00 H new ATOM 937 N THR A 63 -10.473 2.766 -4.821 1.00 0.00 N ATOM 938 CA THR A 63 -10.889 1.671 -5.740 1.00 0.00 C ATOM 939 C THR A 63 -12.327 1.916 -6.199 1.00 0.00 C ATOM 940 O THR A 63 -13.270 1.418 -5.616 1.00 0.00 O ATOM 941 CB THR A 63 -10.804 0.320 -5.021 1.00 0.00 C ATOM 942 OG1 THR A 63 -11.660 -0.611 -5.669 1.00 0.00 O ATOM 943 CG2 THR A 63 -11.238 0.476 -3.566 1.00 0.00 C ATOM 0 H THR A 63 -11.238 3.323 -4.441 1.00 0.00 H new ATOM 0 HA THR A 63 -10.224 1.655 -6.603 1.00 0.00 H new ATOM 0 HB THR A 63 -9.775 -0.039 -5.052 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.594 -0.344 -5.537 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.175 -0.488 -3.062 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.584 1.190 -3.066 1.00 0.00 H new ATOM 0 HG23 THR A 63 -12.266 0.838 -3.530 1.00 0.00 H new ATOM 951 N PHE A 64 -12.503 2.682 -7.246 1.00 0.00 N ATOM 952 CA PHE A 64 -13.881 2.965 -7.750 1.00 0.00 C ATOM 953 C PHE A 64 -14.285 1.880 -8.751 1.00 0.00 C ATOM 954 O PHE A 64 -13.653 1.694 -9.772 1.00 0.00 O ATOM 955 CB PHE A 64 -13.896 4.334 -8.441 1.00 0.00 C ATOM 956 CG PHE A 64 -13.918 5.433 -7.400 1.00 0.00 C ATOM 957 CD1 PHE A 64 -12.793 5.657 -6.598 1.00 0.00 C ATOM 958 CD2 PHE A 64 -15.061 6.228 -7.239 1.00 0.00 C ATOM 959 CE1 PHE A 64 -12.811 6.676 -5.635 1.00 0.00 C ATOM 960 CE2 PHE A 64 -15.078 7.244 -6.277 1.00 0.00 C ATOM 961 CZ PHE A 64 -13.953 7.468 -5.475 1.00 0.00 C ATOM 0 H PHE A 64 -11.751 3.124 -7.774 1.00 0.00 H new ATOM 0 HA PHE A 64 -14.585 2.971 -6.917 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -13.017 4.440 -9.077 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -14.769 4.416 -9.088 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -11.911 5.045 -6.721 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -15.929 6.056 -7.858 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -11.943 6.850 -5.016 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -15.960 7.856 -6.153 1.00 0.00 H new ATOM 0 HZ PHE A 64 -13.967 8.252 -4.733 1.00 0.00 H new ATOM 971 N ILE A 65 -15.334 1.161 -8.461 1.00 0.00 N ATOM 972 CA ILE A 65 -15.787 0.079 -9.387 1.00 0.00 C ATOM 973 C ILE A 65 -16.168 0.673 -10.740 1.00 0.00 C ATOM 974 O ILE A 65 -16.064 0.030 -11.765 1.00 0.00 O ATOM 975 CB ILE A 65 -17.026 -0.612 -8.810 1.00 0.00 C ATOM 976 CG1 ILE A 65 -16.851 -0.849 -7.312 1.00 0.00 C ATOM 977 CG2 ILE A 65 -17.237 -1.952 -9.517 1.00 0.00 C ATOM 978 CD1 ILE A 65 -18.062 -1.620 -6.789 1.00 0.00 C ATOM 0 H ILE A 65 -15.900 1.275 -7.620 1.00 0.00 H new ATOM 0 HA ILE A 65 -14.972 -0.635 -9.505 1.00 0.00 H new ATOM 0 HB ILE A 65 -17.894 0.029 -8.967 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.936 -1.411 -7.123 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -16.755 0.102 -6.788 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -18.119 -2.445 -9.107 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -17.380 -1.782 -10.584 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -16.363 -2.586 -9.364 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.948 -1.795 -5.719 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -18.967 -1.040 -6.967 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -18.136 -2.576 -7.307 1.00 0.00 H new ATOM 990 N ASP A 66 -16.645 1.883 -10.743 1.00 0.00 N ATOM 991 CA ASP A 66 -17.077 2.510 -12.014 1.00 0.00 C ATOM 992 C ASP A 66 -15.867 3.096 -12.731 1.00 0.00 C ATOM 993 O ASP A 66 -15.990 3.890 -13.643 1.00 0.00 O ATOM 994 CB ASP A 66 -18.101 3.608 -11.706 1.00 0.00 C ATOM 995 CG ASP A 66 -17.403 4.820 -11.081 1.00 0.00 C ATOM 996 OD1 ASP A 66 -16.858 5.614 -11.829 1.00 0.00 O ATOM 997 OD2 ASP A 66 -17.428 4.932 -9.867 1.00 0.00 O ATOM 0 H ASP A 66 -16.754 2.466 -9.913 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.537 1.764 -12.662 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -18.613 3.906 -12.621 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -18.862 3.226 -11.025 1.00 0.00 H new ATOM 1002 N ARG A 67 -14.699 2.696 -12.329 1.00 0.00 N ATOM 1003 CA ARG A 67 -13.462 3.208 -12.983 1.00 0.00 C ATOM 1004 C ARG A 67 -12.369 2.139 -12.899 1.00 0.00 C ATOM 1005 O ARG A 67 -11.415 2.283 -12.162 1.00 0.00 O ATOM 1006 CB ARG A 67 -12.994 4.482 -12.273 1.00 0.00 C ATOM 1007 CG ARG A 67 -11.963 5.212 -13.141 1.00 0.00 C ATOM 1008 CD ARG A 67 -11.687 6.596 -12.552 1.00 0.00 C ATOM 1009 NE ARG A 67 -10.499 7.195 -13.226 1.00 0.00 N ATOM 1010 CZ ARG A 67 -10.261 8.473 -13.113 1.00 0.00 C ATOM 1011 NH1 ARG A 67 -11.050 9.224 -12.393 1.00 0.00 N ATOM 1012 NH2 ARG A 67 -9.233 9.002 -13.718 1.00 0.00 N ATOM 0 H ARG A 67 -14.543 2.032 -11.571 1.00 0.00 H new ATOM 0 HA ARG A 67 -13.669 3.437 -14.028 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -13.845 5.134 -12.078 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -12.557 4.231 -11.307 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.039 4.635 -13.190 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -12.333 5.307 -14.162 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -12.557 7.240 -12.685 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.509 6.518 -11.479 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.873 6.606 -13.775 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -11.853 8.812 -11.918 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.863 10.223 -12.305 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.615 8.416 -14.280 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.048 10.001 -13.629 1.00 0.00 H new ATOM 1026 N PRO A 68 -12.522 1.072 -13.648 1.00 0.00 N ATOM 1027 CA PRO A 68 -11.551 -0.077 -13.678 1.00 0.00 C ATOM 1028 C PRO A 68 -10.085 0.336 -13.906 1.00 0.00 C ATOM 1029 O PRO A 68 -9.259 -0.476 -14.272 1.00 0.00 O ATOM 1030 CB PRO A 68 -12.054 -0.935 -14.848 1.00 0.00 C ATOM 1031 CG PRO A 68 -13.514 -0.641 -14.926 1.00 0.00 C ATOM 1032 CD PRO A 68 -13.656 0.835 -14.560 1.00 0.00 C ATOM 0 HA PRO A 68 -11.528 -0.588 -12.716 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.547 -0.676 -15.777 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -11.871 -1.995 -14.670 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.900 -0.836 -15.927 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.078 -1.271 -14.239 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.603 1.474 -15.441 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.611 1.039 -14.075 1.00 0.00 H new ATOM 1040 N ASN A 69 -9.750 1.576 -13.688 1.00 0.00 N ATOM 1041 CA ASN A 69 -8.342 2.020 -13.886 1.00 0.00 C ATOM 1042 C ASN A 69 -8.060 3.190 -12.940 1.00 0.00 C ATOM 1043 O ASN A 69 -7.800 4.296 -13.371 1.00 0.00 O ATOM 1044 CB ASN A 69 -8.150 2.460 -15.344 1.00 0.00 C ATOM 1045 CG ASN A 69 -9.433 3.124 -15.848 1.00 0.00 C ATOM 1046 OD1 ASN A 69 -10.299 2.466 -16.388 1.00 0.00 O ATOM 1047 ND2 ASN A 69 -9.592 4.409 -15.692 1.00 0.00 N ATOM 0 H ASN A 69 -10.393 2.305 -13.380 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.653 1.204 -13.670 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.314 3.156 -15.418 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.905 1.599 -15.966 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -10.444 4.861 -16.024 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -8.864 4.962 -15.238 1.00 0.00 H new ATOM 1054 N TYR A 70 -8.120 2.962 -11.651 1.00 0.00 N ATOM 1055 CA TYR A 70 -7.866 4.075 -10.687 1.00 0.00 C ATOM 1056 C TYR A 70 -7.287 3.537 -9.373 1.00 0.00 C ATOM 1057 O TYR A 70 -7.962 2.892 -8.596 1.00 0.00 O ATOM 1058 CB TYR A 70 -9.182 4.800 -10.400 1.00 0.00 C ATOM 1059 CG TYR A 70 -8.904 6.061 -9.612 1.00 0.00 C ATOM 1060 CD1 TYR A 70 -8.287 7.151 -10.236 1.00 0.00 C ATOM 1061 CD2 TYR A 70 -9.265 6.140 -8.261 1.00 0.00 C ATOM 1062 CE1 TYR A 70 -8.030 8.320 -9.510 1.00 0.00 C ATOM 1063 CE2 TYR A 70 -9.008 7.309 -7.536 1.00 0.00 C ATOM 1064 CZ TYR A 70 -8.392 8.398 -8.160 1.00 0.00 C ATOM 1065 OH TYR A 70 -8.139 9.552 -7.444 1.00 0.00 O ATOM 0 H TYR A 70 -8.333 2.059 -11.227 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.144 4.762 -11.129 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -9.685 5.047 -11.335 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -9.853 4.149 -9.839 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -8.009 7.090 -11.278 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -9.741 5.299 -7.779 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -7.553 9.161 -9.991 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.286 7.370 -6.494 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.453 9.441 -6.522 1.00 0.00 H new ATOM 1075 N GLN A 71 -6.041 3.831 -9.119 1.00 0.00 N ATOM 1076 CA GLN A 71 -5.383 3.390 -7.854 1.00 0.00 C ATOM 1077 C GLN A 71 -5.489 1.872 -7.652 1.00 0.00 C ATOM 1078 O GLN A 71 -4.910 1.098 -8.388 1.00 0.00 O ATOM 1079 CB GLN A 71 -6.029 4.111 -6.669 1.00 0.00 C ATOM 1080 CG GLN A 71 -5.766 5.617 -6.783 1.00 0.00 C ATOM 1081 CD GLN A 71 -6.088 6.290 -5.450 1.00 0.00 C ATOM 1082 OE1 GLN A 71 -5.778 5.764 -4.400 1.00 0.00 O ATOM 1083 NE2 GLN A 71 -6.710 7.437 -5.446 1.00 0.00 N ATOM 0 H GLN A 71 -5.440 4.367 -9.745 1.00 0.00 H new ATOM 0 HA GLN A 71 -4.325 3.642 -7.920 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.102 3.918 -6.653 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.623 3.730 -5.732 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.725 5.796 -7.052 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.378 6.045 -7.577 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.970 7.879 -6.328 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.936 7.892 -4.561 1.00 0.00 H new ATOM 1092 N PHE A 72 -6.184 1.442 -6.624 1.00 0.00 N ATOM 1093 CA PHE A 72 -6.282 -0.025 -6.334 1.00 0.00 C ATOM 1094 C PHE A 72 -7.569 -0.606 -6.928 1.00 0.00 C ATOM 1095 O PHE A 72 -7.938 -1.725 -6.628 1.00 0.00 O ATOM 1096 CB PHE A 72 -6.312 -0.250 -4.809 1.00 0.00 C ATOM 1097 CG PHE A 72 -4.923 -0.171 -4.193 1.00 0.00 C ATOM 1098 CD1 PHE A 72 -3.987 0.787 -4.617 1.00 0.00 C ATOM 1099 CD2 PHE A 72 -4.585 -1.062 -3.164 1.00 0.00 C ATOM 1100 CE1 PHE A 72 -2.723 0.845 -4.017 1.00 0.00 C ATOM 1101 CE2 PHE A 72 -3.321 -0.999 -2.565 1.00 0.00 C ATOM 1102 CZ PHE A 72 -2.391 -0.047 -2.992 1.00 0.00 C ATOM 0 H PHE A 72 -6.688 2.044 -5.973 1.00 0.00 H new ATOM 0 HA PHE A 72 -5.418 -0.519 -6.778 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -6.957 0.496 -4.345 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.748 -1.226 -4.595 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -4.242 1.479 -5.406 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.302 -1.799 -2.833 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.003 1.580 -4.346 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.064 -1.686 -1.773 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.416 -0.000 -2.530 1.00 0.00 H new ATOM 1112 N THR A 73 -8.266 0.124 -7.751 1.00 0.00 N ATOM 1113 CA THR A 73 -9.527 -0.432 -8.322 1.00 0.00 C ATOM 1114 C THR A 73 -9.270 -1.835 -8.877 1.00 0.00 C ATOM 1115 O THR A 73 -10.187 -2.600 -9.097 1.00 0.00 O ATOM 1116 CB THR A 73 -10.040 0.463 -9.450 1.00 0.00 C ATOM 1117 OG1 THR A 73 -10.298 1.765 -8.948 1.00 0.00 O ATOM 1118 CG2 THR A 73 -11.329 -0.139 -10.012 1.00 0.00 C ATOM 0 H THR A 73 -8.024 1.068 -8.051 1.00 0.00 H new ATOM 0 HA THR A 73 -10.275 -0.478 -7.530 1.00 0.00 H new ATOM 0 HB THR A 73 -9.290 0.530 -10.238 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.453 2.254 -8.857 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.704 0.492 -10.818 1.00 0.00 H new ATOM 0 HG22 THR A 73 -11.126 -1.138 -10.398 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.077 -0.200 -9.221 1.00 0.00 H new ATOM 1126 N ASN A 74 -8.026 -2.175 -9.111 1.00 0.00 N ATOM 1127 CA ASN A 74 -7.693 -3.527 -9.666 1.00 0.00 C ATOM 1128 C ASN A 74 -6.744 -4.262 -8.720 1.00 0.00 C ATOM 1129 O ASN A 74 -6.674 -5.475 -8.725 1.00 0.00 O ATOM 1130 CB ASN A 74 -7.020 -3.351 -11.027 1.00 0.00 C ATOM 1131 CG ASN A 74 -8.012 -2.725 -12.007 1.00 0.00 C ATOM 1132 OD1 ASN A 74 -8.929 -2.038 -11.603 1.00 0.00 O ATOM 1133 ND2 ASN A 74 -7.870 -2.936 -13.285 1.00 0.00 N ATOM 0 H ASN A 74 -7.222 -1.571 -8.941 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.607 -4.111 -9.774 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -6.139 -2.717 -10.930 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.679 -4.315 -11.404 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.529 -2.524 -13.946 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.100 -3.513 -13.624 1.00 0.00 H new ATOM 1140 N LEU A 75 -6.012 -3.551 -7.908 1.00 0.00 N ATOM 1141 CA LEU A 75 -5.079 -4.242 -6.975 1.00 0.00 C ATOM 1142 C LEU A 75 -5.863 -5.266 -6.168 1.00 0.00 C ATOM 1143 O LEU A 75 -5.337 -6.280 -5.752 1.00 0.00 O ATOM 1144 CB LEU A 75 -4.434 -3.221 -6.023 1.00 0.00 C ATOM 1145 CG LEU A 75 -3.241 -3.851 -5.249 1.00 0.00 C ATOM 1146 CD1 LEU A 75 -2.122 -2.806 -5.071 1.00 0.00 C ATOM 1147 CD2 LEU A 75 -3.702 -4.350 -3.866 1.00 0.00 C ATOM 0 H LEU A 75 -6.018 -2.533 -7.850 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.293 -4.737 -7.545 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.087 -2.358 -6.591 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.179 -2.858 -5.315 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.862 -4.697 -5.823 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.289 -3.253 -4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.779 -2.470 -6.050 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.506 -1.954 -4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.856 -4.788 -3.337 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.096 -3.513 -3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.480 -5.103 -3.992 1.00 0.00 H new ATOM 1159 N LYS A 76 -7.123 -5.018 -5.945 1.00 0.00 N ATOM 1160 CA LYS A 76 -7.932 -5.990 -5.171 1.00 0.00 C ATOM 1161 C LYS A 76 -8.233 -7.173 -6.082 1.00 0.00 C ATOM 1162 O LYS A 76 -8.767 -8.183 -5.669 1.00 0.00 O ATOM 1163 CB LYS A 76 -9.238 -5.338 -4.709 1.00 0.00 C ATOM 1164 CG LYS A 76 -9.960 -4.716 -5.907 1.00 0.00 C ATOM 1165 CD LYS A 76 -11.300 -4.126 -5.447 1.00 0.00 C ATOM 1166 CE LYS A 76 -12.206 -3.892 -6.658 1.00 0.00 C ATOM 1167 NZ LYS A 76 -13.348 -3.019 -6.263 1.00 0.00 N ATOM 0 H LYS A 76 -7.623 -4.188 -6.265 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.386 -6.319 -4.287 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.878 -6.081 -4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.028 -4.573 -3.962 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.342 -3.937 -6.354 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.127 -5.470 -6.676 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.784 -4.804 -4.744 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.133 -3.187 -4.920 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.640 -3.426 -7.464 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.577 -4.844 -7.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.991 -2.901 -7.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.863 -3.457 -5.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.988 -2.089 -5.969 1.00 0.00 H new ATOM 1181 N ALA A 77 -7.877 -7.043 -7.333 1.00 0.00 N ATOM 1182 CA ALA A 77 -8.112 -8.135 -8.312 1.00 0.00 C ATOM 1183 C ALA A 77 -6.908 -9.078 -8.296 1.00 0.00 C ATOM 1184 O ALA A 77 -7.003 -10.237 -8.649 1.00 0.00 O ATOM 1185 CB ALA A 77 -8.274 -7.516 -9.702 1.00 0.00 C ATOM 0 H ALA A 77 -7.427 -6.213 -7.719 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.011 -8.695 -8.056 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.447 -8.305 -10.434 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.122 -6.831 -9.699 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.368 -6.970 -9.965 1.00 0.00 H new ATOM 1191 N ALA A 78 -5.775 -8.580 -7.884 1.00 0.00 N ATOM 1192 CA ALA A 78 -4.552 -9.427 -7.833 1.00 0.00 C ATOM 1193 C ALA A 78 -4.860 -10.728 -7.084 1.00 0.00 C ATOM 1194 O ALA A 78 -5.970 -10.955 -6.644 1.00 0.00 O ATOM 1195 CB ALA A 78 -3.442 -8.662 -7.105 1.00 0.00 C ATOM 0 H ALA A 78 -5.644 -7.616 -7.579 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.227 -9.666 -8.846 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.543 -9.277 -7.064 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.225 -7.738 -7.641 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.767 -8.426 -6.092 1.00 0.00 H new ATOM 1201 N LYS A 79 -3.883 -11.582 -6.930 1.00 0.00 N ATOM 1202 CA LYS A 79 -4.117 -12.867 -6.207 1.00 0.00 C ATOM 1203 C LYS A 79 -2.805 -13.347 -5.588 1.00 0.00 C ATOM 1204 O LYS A 79 -1.734 -12.904 -5.954 1.00 0.00 O ATOM 1205 CB LYS A 79 -4.632 -13.924 -7.184 1.00 0.00 C ATOM 1206 CG LYS A 79 -3.550 -14.240 -8.218 1.00 0.00 C ATOM 1207 CD LYS A 79 -4.163 -15.034 -9.376 1.00 0.00 C ATOM 1208 CE LYS A 79 -4.666 -16.393 -8.873 1.00 0.00 C ATOM 1209 NZ LYS A 79 -6.002 -16.223 -8.237 1.00 0.00 N ATOM 0 H LYS A 79 -2.932 -11.445 -7.274 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.858 -12.709 -5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.908 -14.829 -6.643 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.532 -13.564 -7.683 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.108 -13.316 -8.591 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.747 -14.814 -7.755 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.987 -14.473 -9.817 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.421 -15.180 -10.161 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.733 -17.098 -9.702 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.960 -16.811 -8.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.912 -16.328 -7.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.374 -15.277 -8.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.655 -16.945 -8.602 1.00 0.00 H new ATOM 1223 N LYS A 80 -2.879 -14.249 -4.650 1.00 0.00 N ATOM 1224 CA LYS A 80 -1.635 -14.755 -4.008 1.00 0.00 C ATOM 1225 C LYS A 80 -0.662 -15.237 -5.090 1.00 0.00 C ATOM 1226 O LYS A 80 -1.034 -15.956 -5.998 1.00 0.00 O ATOM 1227 CB LYS A 80 -1.983 -15.914 -3.057 1.00 0.00 C ATOM 1228 CG LYS A 80 -0.908 -16.035 -1.967 1.00 0.00 C ATOM 1229 CD LYS A 80 -1.009 -17.399 -1.274 1.00 0.00 C ATOM 1230 CE LYS A 80 -2.459 -17.674 -0.860 1.00 0.00 C ATOM 1231 NZ LYS A 80 -3.033 -16.461 -0.212 1.00 0.00 N ATOM 0 H LYS A 80 -3.746 -14.657 -4.301 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.165 -13.954 -3.437 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.958 -15.742 -2.601 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.053 -16.847 -3.617 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.082 -15.915 -2.407 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.030 -15.237 -1.235 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.659 -18.183 -1.945 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.362 -17.419 -0.397 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.052 -17.947 -1.733 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.497 -18.519 -0.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.415 -16.714 0.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.289 -15.743 -0.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.796 -16.078 -0.806 1.00 0.00 H new ATOM 1245 N GLY A 81 0.583 -14.849 -5.001 1.00 0.00 N ATOM 1246 CA GLY A 81 1.587 -15.285 -6.020 1.00 0.00 C ATOM 1247 C GLY A 81 1.735 -14.212 -7.102 1.00 0.00 C ATOM 1248 O GLY A 81 2.575 -14.314 -7.973 1.00 0.00 O ATOM 0 H GLY A 81 0.950 -14.247 -4.264 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.549 -15.465 -5.541 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.274 -16.227 -6.471 1.00 0.00 H new ATOM 1252 N SER A 82 0.940 -13.178 -7.051 1.00 0.00 N ATOM 1253 CA SER A 82 1.060 -12.109 -8.073 1.00 0.00 C ATOM 1254 C SER A 82 2.435 -11.474 -7.936 1.00 0.00 C ATOM 1255 O SER A 82 3.328 -12.047 -7.343 1.00 0.00 O ATOM 1256 CB SER A 82 -0.024 -11.054 -7.850 1.00 0.00 C ATOM 1257 OG SER A 82 0.232 -9.934 -8.688 1.00 0.00 O ATOM 0 H SER A 82 0.216 -13.031 -6.347 1.00 0.00 H new ATOM 0 HA SER A 82 0.936 -12.527 -9.072 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.006 -11.472 -8.072 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.038 -10.745 -6.805 1.00 0.00 H new ATOM 0 HG SER A 82 -0.462 -9.256 -8.549 1.00 0.00 H new ATOM 1263 N MET A 83 2.622 -10.297 -8.468 1.00 0.00 N ATOM 1264 CA MET A 83 3.952 -9.632 -8.354 1.00 0.00 C ATOM 1265 C MET A 83 3.762 -8.128 -8.156 1.00 0.00 C ATOM 1266 O MET A 83 2.709 -7.583 -8.419 1.00 0.00 O ATOM 1267 CB MET A 83 4.763 -9.884 -9.630 1.00 0.00 C ATOM 1268 CG MET A 83 5.335 -11.304 -9.613 1.00 0.00 C ATOM 1269 SD MET A 83 6.670 -11.404 -8.395 1.00 0.00 S ATOM 1270 CE MET A 83 8.038 -11.025 -9.517 1.00 0.00 C ATOM 0 H MET A 83 1.913 -9.768 -8.976 1.00 0.00 H new ATOM 0 HA MET A 83 4.487 -10.042 -7.498 1.00 0.00 H new ATOM 0 HB2 MET A 83 4.129 -9.748 -10.507 1.00 0.00 H new ATOM 0 HB3 MET A 83 5.572 -9.158 -9.706 1.00 0.00 H new ATOM 0 HG2 MET A 83 4.551 -12.020 -9.368 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.710 -11.568 -10.602 1.00 0.00 H new ATOM 0 HE1 MET A 83 8.980 -11.069 -8.970 1.00 0.00 H new ATOM 0 HE2 MET A 83 8.055 -11.752 -10.329 1.00 0.00 H new ATOM 0 HE3 MET A 83 7.904 -10.025 -9.929 1.00 0.00 H new ATOM 1280 N VAL A 84 4.782 -7.456 -7.689 1.00 0.00 N ATOM 1281 CA VAL A 84 4.682 -5.984 -7.460 1.00 0.00 C ATOM 1282 C VAL A 84 6.039 -5.336 -7.745 1.00 0.00 C ATOM 1283 O VAL A 84 7.068 -5.975 -7.665 1.00 0.00 O ATOM 1284 CB VAL A 84 4.290 -5.735 -5.997 1.00 0.00 C ATOM 1285 CG1 VAL A 84 3.837 -4.284 -5.810 1.00 0.00 C ATOM 1286 CG2 VAL A 84 3.146 -6.675 -5.608 1.00 0.00 C ATOM 0 H VAL A 84 5.686 -7.867 -7.455 1.00 0.00 H new ATOM 0 HA VAL A 84 3.930 -5.553 -8.121 1.00 0.00 H new ATOM 0 HB VAL A 84 5.156 -5.923 -5.363 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.562 -4.120 -4.768 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.651 -3.611 -6.080 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.976 -4.087 -6.448 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.867 -6.499 -4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.286 -6.487 -6.251 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.469 -7.709 -5.726 1.00 0.00 H new ATOM 1296 N TYR A 85 6.049 -4.069 -8.079 1.00 0.00 N ATOM 1297 CA TYR A 85 7.340 -3.371 -8.369 1.00 0.00 C ATOM 1298 C TYR A 85 7.288 -1.955 -7.790 1.00 0.00 C ATOM 1299 O TYR A 85 6.597 -1.091 -8.293 1.00 0.00 O ATOM 1300 CB TYR A 85 7.551 -3.293 -9.882 1.00 0.00 C ATOM 1301 CG TYR A 85 7.651 -4.689 -10.450 1.00 0.00 C ATOM 1302 CD1 TYR A 85 8.897 -5.319 -10.542 1.00 0.00 C ATOM 1303 CD2 TYR A 85 6.497 -5.352 -10.885 1.00 0.00 C ATOM 1304 CE1 TYR A 85 8.990 -6.613 -11.069 1.00 0.00 C ATOM 1305 CE2 TYR A 85 6.590 -6.646 -11.412 1.00 0.00 C ATOM 1306 CZ TYR A 85 7.837 -7.277 -11.505 1.00 0.00 C ATOM 1307 OH TYR A 85 7.928 -8.551 -12.025 1.00 0.00 O ATOM 0 H TYR A 85 5.216 -3.486 -8.164 1.00 0.00 H new ATOM 0 HA TYR A 85 8.163 -3.924 -7.917 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.724 -2.758 -10.348 1.00 0.00 H new ATOM 0 HB3 TYR A 85 8.459 -2.733 -10.105 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.787 -4.807 -10.207 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.535 -4.865 -10.814 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.952 -7.099 -11.139 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.700 -7.158 -11.747 1.00 0.00 H new ATOM 0 HH TYR A 85 7.035 -8.866 -12.278 1.00 0.00 H new ATOM 1317 N PHE A 86 8.017 -1.717 -6.729 1.00 0.00 N ATOM 1318 CA PHE A 86 8.024 -0.361 -6.100 1.00 0.00 C ATOM 1319 C PHE A 86 9.211 0.432 -6.649 1.00 0.00 C ATOM 1320 O PHE A 86 10.354 0.110 -6.395 1.00 0.00 O ATOM 1321 CB PHE A 86 8.156 -0.511 -4.580 1.00 0.00 C ATOM 1322 CG PHE A 86 7.795 0.791 -3.895 1.00 0.00 C ATOM 1323 CD1 PHE A 86 6.489 1.291 -3.984 1.00 0.00 C ATOM 1324 CD2 PHE A 86 8.764 1.496 -3.165 1.00 0.00 C ATOM 1325 CE1 PHE A 86 6.153 2.492 -3.347 1.00 0.00 C ATOM 1326 CE2 PHE A 86 8.426 2.697 -2.528 1.00 0.00 C ATOM 1327 CZ PHE A 86 7.121 3.194 -2.620 1.00 0.00 C ATOM 0 H PHE A 86 8.611 -2.407 -6.269 1.00 0.00 H new ATOM 0 HA PHE A 86 7.097 0.165 -6.329 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.503 -1.310 -4.228 1.00 0.00 H new ATOM 0 HB3 PHE A 86 9.176 -0.796 -4.322 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.741 0.750 -4.544 1.00 0.00 H new ATOM 0 HD2 PHE A 86 9.771 1.112 -3.094 1.00 0.00 H new ATOM 0 HE1 PHE A 86 5.146 2.877 -3.417 1.00 0.00 H new ATOM 0 HE2 PHE A 86 9.172 3.239 -1.966 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.861 4.120 -2.129 1.00 0.00 H new ATOM 1337 N LYS A 87 8.948 1.461 -7.412 1.00 0.00 N ATOM 1338 CA LYS A 87 10.060 2.273 -7.996 1.00 0.00 C ATOM 1339 C LYS A 87 10.302 3.520 -7.148 1.00 0.00 C ATOM 1340 O LYS A 87 9.379 4.170 -6.696 1.00 0.00 O ATOM 1341 CB LYS A 87 9.681 2.696 -9.417 1.00 0.00 C ATOM 1342 CG LYS A 87 10.829 3.494 -10.036 1.00 0.00 C ATOM 1343 CD LYS A 87 10.594 3.645 -11.541 1.00 0.00 C ATOM 1344 CE LYS A 87 11.801 4.335 -12.180 1.00 0.00 C ATOM 1345 NZ LYS A 87 11.924 5.721 -11.644 1.00 0.00 N ATOM 0 H LYS A 87 8.009 1.776 -7.657 1.00 0.00 H new ATOM 0 HA LYS A 87 10.969 1.672 -8.015 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.467 1.817 -10.024 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.773 3.299 -9.398 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.897 4.476 -9.568 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.777 2.988 -9.854 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.439 2.667 -11.995 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.691 4.228 -11.722 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.709 3.771 -11.969 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.686 4.362 -13.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.556 6.275 -12.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.985 6.168 -11.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.317 5.687 -10.682 1.00 0.00 H new ATOM 1359 N VAL A 88 11.545 3.864 -6.938 1.00 0.00 N ATOM 1360 CA VAL A 88 11.876 5.075 -6.131 1.00 0.00 C ATOM 1361 C VAL A 88 13.119 5.741 -6.731 1.00 0.00 C ATOM 1362 O VAL A 88 13.963 5.090 -7.316 1.00 0.00 O ATOM 1363 CB VAL A 88 12.151 4.668 -4.675 1.00 0.00 C ATOM 1364 CG1 VAL A 88 10.830 4.503 -3.920 1.00 0.00 C ATOM 1365 CG2 VAL A 88 12.908 3.340 -4.655 1.00 0.00 C ATOM 0 H VAL A 88 12.353 3.353 -7.294 1.00 0.00 H new ATOM 0 HA VAL A 88 11.040 5.774 -6.148 1.00 0.00 H new ATOM 0 HB VAL A 88 12.747 5.444 -4.194 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.034 4.214 -2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.284 5.446 -3.932 1.00 0.00 H new ATOM 0 HG13 VAL A 88 10.230 3.731 -4.401 1.00 0.00 H new ATOM 0 HG21 VAL A 88 13.105 3.049 -3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 88 12.307 2.571 -5.141 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.853 3.452 -5.187 1.00 0.00 H new ATOM 1375 N GLY A 89 13.228 7.034 -6.600 1.00 0.00 N ATOM 1376 CA GLY A 89 14.403 7.755 -7.171 1.00 0.00 C ATOM 1377 C GLY A 89 15.701 7.008 -6.844 1.00 0.00 C ATOM 1378 O GLY A 89 16.736 7.270 -7.424 1.00 0.00 O ATOM 0 H GLY A 89 12.551 7.626 -6.120 1.00 0.00 H new ATOM 0 HA2 GLY A 89 14.291 7.847 -8.251 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.447 8.767 -6.768 1.00 0.00 H new ATOM 1382 N ASN A 90 15.662 6.087 -5.920 1.00 0.00 N ATOM 1383 CA ASN A 90 16.903 5.338 -5.562 1.00 0.00 C ATOM 1384 C ASN A 90 17.108 4.171 -6.531 1.00 0.00 C ATOM 1385 O ASN A 90 18.120 4.075 -7.196 1.00 0.00 O ATOM 1386 CB ASN A 90 16.780 4.798 -4.136 1.00 0.00 C ATOM 1387 CG ASN A 90 18.155 4.334 -3.650 1.00 0.00 C ATOM 1388 OD1 ASN A 90 19.163 4.651 -4.250 1.00 0.00 O ATOM 1389 ND2 ASN A 90 18.239 3.591 -2.582 1.00 0.00 N ATOM 0 H ASN A 90 14.827 5.820 -5.398 1.00 0.00 H new ATOM 0 HA ASN A 90 17.757 6.012 -5.627 1.00 0.00 H new ATOM 0 HB2 ASN A 90 16.390 5.571 -3.474 1.00 0.00 H new ATOM 0 HB3 ASN A 90 16.073 3.969 -4.109 1.00 0.00 H new ATOM 0 HD21 ASN A 90 19.151 3.276 -2.250 1.00 0.00 H new ATOM 0 HD22 ASN A 90 17.393 3.325 -2.078 1.00 0.00 H new ATOM 1396 N GLU A 91 16.158 3.283 -6.610 1.00 0.00 N ATOM 1397 CA GLU A 91 16.292 2.116 -7.526 1.00 0.00 C ATOM 1398 C GLU A 91 14.963 1.358 -7.561 1.00 0.00 C ATOM 1399 O GLU A 91 14.058 1.644 -6.802 1.00 0.00 O ATOM 1400 CB GLU A 91 17.404 1.189 -7.017 1.00 0.00 C ATOM 1401 CG GLU A 91 17.630 0.042 -8.015 1.00 0.00 C ATOM 1402 CD GLU A 91 19.014 -0.573 -7.792 1.00 0.00 C ATOM 1403 OE1 GLU A 91 19.991 0.140 -7.954 1.00 0.00 O ATOM 1404 OE2 GLU A 91 19.073 -1.747 -7.466 1.00 0.00 O ATOM 0 H GLU A 91 15.289 3.315 -6.077 1.00 0.00 H new ATOM 0 HA GLU A 91 16.546 2.459 -8.529 1.00 0.00 H new ATOM 0 HB2 GLU A 91 18.327 1.753 -6.884 1.00 0.00 H new ATOM 0 HB3 GLU A 91 17.134 0.785 -6.041 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.859 -0.719 -7.890 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.547 0.414 -9.036 1.00 0.00 H new ATOM 1411 N THR A 92 14.833 0.397 -8.439 1.00 0.00 N ATOM 1412 CA THR A 92 13.558 -0.379 -8.527 1.00 0.00 C ATOM 1413 C THR A 92 13.688 -1.691 -7.750 1.00 0.00 C ATOM 1414 O THR A 92 14.755 -2.263 -7.648 1.00 0.00 O ATOM 1415 CB THR A 92 13.261 -0.691 -9.996 1.00 0.00 C ATOM 1416 OG1 THR A 92 12.010 -1.359 -10.091 1.00 0.00 O ATOM 1417 CG2 THR A 92 14.364 -1.584 -10.565 1.00 0.00 C ATOM 0 H THR A 92 15.556 0.115 -9.101 1.00 0.00 H new ATOM 0 HA THR A 92 12.748 0.211 -8.099 1.00 0.00 H new ATOM 0 HB THR A 92 13.222 0.238 -10.565 1.00 0.00 H new ATOM 0 HG1 THR A 92 11.816 -1.559 -11.031 1.00 0.00 H new ATOM 0 HG21 THR A 92 14.150 -1.805 -11.611 1.00 0.00 H new ATOM 0 HG22 THR A 92 15.322 -1.070 -10.491 1.00 0.00 H new ATOM 0 HG23 THR A 92 14.407 -2.515 -9.999 1.00 0.00 H new ATOM 1425 N ARG A 93 12.598 -2.175 -7.212 1.00 0.00 N ATOM 1426 CA ARG A 93 12.632 -3.462 -6.446 1.00 0.00 C ATOM 1427 C ARG A 93 11.365 -4.255 -6.777 1.00 0.00 C ATOM 1428 O ARG A 93 10.455 -3.744 -7.401 1.00 0.00 O ATOM 1429 CB ARG A 93 12.681 -3.174 -4.935 1.00 0.00 C ATOM 1430 CG ARG A 93 11.773 -1.973 -4.582 1.00 0.00 C ATOM 1431 CD ARG A 93 12.591 -0.674 -4.562 1.00 0.00 C ATOM 1432 NE ARG A 93 13.334 -0.581 -3.274 1.00 0.00 N ATOM 1433 CZ ARG A 93 14.309 0.276 -3.143 1.00 0.00 C ATOM 1434 NH1 ARG A 93 14.635 1.052 -4.139 1.00 0.00 N ATOM 1435 NH2 ARG A 93 14.959 0.356 -2.014 1.00 0.00 N ATOM 0 H ARG A 93 11.680 -1.733 -7.269 1.00 0.00 H new ATOM 0 HA ARG A 93 13.518 -4.034 -6.721 1.00 0.00 H new ATOM 0 HB2 ARG A 93 12.360 -4.056 -4.380 1.00 0.00 H new ATOM 0 HB3 ARG A 93 13.707 -2.963 -4.632 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.967 -1.892 -5.311 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.308 -2.133 -3.609 1.00 0.00 H new ATOM 0 HD2 ARG A 93 13.288 -0.657 -5.400 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.932 0.186 -4.678 1.00 0.00 H new ATOM 0 HE ARG A 93 13.080 -1.188 -2.494 1.00 0.00 H new ATOM 0 HH11 ARG A 93 14.128 0.989 -5.022 1.00 0.00 H new ATOM 0 HH12 ARG A 93 15.397 1.722 -4.035 1.00 0.00 H new ATOM 0 HH21 ARG A 93 14.705 -0.251 -1.235 1.00 0.00 H new ATOM 0 HH22 ARG A 93 15.721 1.026 -1.911 1.00 0.00 H new ATOM 1449 N LYS A 94 11.294 -5.503 -6.376 1.00 0.00 N ATOM 1450 CA LYS A 94 10.077 -6.319 -6.687 1.00 0.00 C ATOM 1451 C LYS A 94 9.731 -7.250 -5.522 1.00 0.00 C ATOM 1452 O LYS A 94 10.566 -7.601 -4.713 1.00 0.00 O ATOM 1453 CB LYS A 94 10.313 -7.140 -7.967 1.00 0.00 C ATOM 1454 CG LYS A 94 11.288 -8.302 -7.710 1.00 0.00 C ATOM 1455 CD LYS A 94 12.604 -7.773 -7.125 1.00 0.00 C ATOM 1456 CE LYS A 94 13.719 -8.800 -7.348 1.00 0.00 C ATOM 1457 NZ LYS A 94 13.266 -10.137 -6.872 1.00 0.00 N ATOM 0 H LYS A 94 12.021 -5.989 -5.850 1.00 0.00 H new ATOM 0 HA LYS A 94 9.237 -5.642 -6.842 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.363 -7.532 -8.331 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.712 -6.493 -8.749 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.838 -9.018 -7.022 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.484 -8.834 -8.641 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.868 -6.827 -7.597 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.486 -7.576 -6.060 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.978 -8.847 -8.406 1.00 0.00 H new ATOM 0 HE3 LYS A 94 14.619 -8.497 -6.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.091 -10.755 -6.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.759 -10.031 -5.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.631 -10.560 -7.578 1.00 0.00 H new ATOM 1471 N TYR A 95 8.489 -7.648 -5.444 1.00 0.00 N ATOM 1472 CA TYR A 95 8.033 -8.558 -4.353 1.00 0.00 C ATOM 1473 C TYR A 95 7.129 -9.625 -4.971 1.00 0.00 C ATOM 1474 O TYR A 95 6.914 -9.648 -6.167 1.00 0.00 O ATOM 1475 CB TYR A 95 7.228 -7.762 -3.318 1.00 0.00 C ATOM 1476 CG TYR A 95 7.990 -6.519 -2.907 1.00 0.00 C ATOM 1477 CD1 TYR A 95 8.130 -5.451 -3.804 1.00 0.00 C ATOM 1478 CD2 TYR A 95 8.552 -6.432 -1.625 1.00 0.00 C ATOM 1479 CE1 TYR A 95 8.833 -4.302 -3.421 1.00 0.00 C ATOM 1480 CE2 TYR A 95 9.254 -5.282 -1.245 1.00 0.00 C ATOM 1481 CZ TYR A 95 9.395 -4.218 -2.143 1.00 0.00 C ATOM 1482 OH TYR A 95 10.087 -3.085 -1.767 1.00 0.00 O ATOM 0 H TYR A 95 7.759 -7.376 -6.102 1.00 0.00 H new ATOM 0 HA TYR A 95 8.893 -9.015 -3.864 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.260 -7.483 -3.735 1.00 0.00 H new ATOM 0 HB3 TYR A 95 7.031 -8.383 -2.444 1.00 0.00 H new ATOM 0 HD1 TYR A 95 7.696 -5.514 -4.791 1.00 0.00 H new ATOM 0 HD2 TYR A 95 8.443 -7.252 -0.931 1.00 0.00 H new ATOM 0 HE1 TYR A 95 8.941 -3.480 -4.113 1.00 0.00 H new ATOM 0 HE2 TYR A 95 9.687 -5.216 -0.258 1.00 0.00 H new ATOM 0 HH TYR A 95 10.411 -3.190 -0.848 1.00 0.00 H new ATOM 1492 N LYS A 96 6.591 -10.503 -4.172 1.00 0.00 N ATOM 1493 CA LYS A 96 5.693 -11.562 -4.719 1.00 0.00 C ATOM 1494 C LYS A 96 4.599 -11.864 -3.698 1.00 0.00 C ATOM 1495 O LYS A 96 4.865 -12.324 -2.604 1.00 0.00 O ATOM 1496 CB LYS A 96 6.503 -12.832 -4.999 1.00 0.00 C ATOM 1497 CG LYS A 96 5.696 -13.762 -5.907 1.00 0.00 C ATOM 1498 CD LYS A 96 6.521 -15.012 -6.218 1.00 0.00 C ATOM 1499 CE LYS A 96 5.830 -15.823 -7.316 1.00 0.00 C ATOM 1500 NZ LYS A 96 5.997 -15.131 -8.624 1.00 0.00 N ATOM 0 H LYS A 96 6.733 -10.534 -3.162 1.00 0.00 H new ATOM 0 HA LYS A 96 5.242 -11.216 -5.649 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.450 -12.575 -5.473 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.742 -13.337 -4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.761 -14.042 -5.421 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.433 -13.247 -6.831 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.524 -14.728 -6.538 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.633 -15.619 -5.320 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.256 -16.825 -7.366 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.771 -15.938 -7.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 5.842 -15.809 -9.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.306 -14.357 -8.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.960 -14.743 -8.691 1.00 0.00 H new ATOM 1514 N MET A 97 3.369 -11.604 -4.046 1.00 0.00 N ATOM 1515 CA MET A 97 2.258 -11.876 -3.094 1.00 0.00 C ATOM 1516 C MET A 97 2.381 -13.310 -2.577 1.00 0.00 C ATOM 1517 O MET A 97 2.203 -14.260 -3.311 1.00 0.00 O ATOM 1518 CB MET A 97 0.912 -11.695 -3.804 1.00 0.00 C ATOM 1519 CG MET A 97 0.692 -10.215 -4.141 1.00 0.00 C ATOM 1520 SD MET A 97 -1.065 -9.931 -4.474 1.00 0.00 S ATOM 1521 CE MET A 97 -0.941 -8.171 -4.880 1.00 0.00 C ATOM 0 H MET A 97 3.087 -11.216 -4.946 1.00 0.00 H new ATOM 0 HA MET A 97 2.314 -11.180 -2.257 1.00 0.00 H new ATOM 0 HB2 MET A 97 0.889 -12.291 -4.716 1.00 0.00 H new ATOM 0 HB3 MET A 97 0.104 -12.056 -3.167 1.00 0.00 H new ATOM 0 HG2 MET A 97 1.023 -9.589 -3.312 1.00 0.00 H new ATOM 0 HG3 MET A 97 1.288 -9.936 -5.010 1.00 0.00 H new ATOM 0 HE1 MET A 97 -1.798 -7.641 -4.465 1.00 0.00 H new ATOM 0 HE2 MET A 97 -0.022 -7.764 -4.457 1.00 0.00 H new ATOM 0 HE3 MET A 97 -0.928 -8.047 -5.963 1.00 0.00 H new ATOM 1531 N THR A 98 2.687 -13.472 -1.316 1.00 0.00 N ATOM 1532 CA THR A 98 2.828 -14.844 -0.740 1.00 0.00 C ATOM 1533 C THR A 98 2.211 -14.860 0.660 1.00 0.00 C ATOM 1534 O THR A 98 2.611 -15.617 1.521 1.00 0.00 O ATOM 1535 CB THR A 98 4.318 -15.210 -0.660 1.00 0.00 C ATOM 1536 OG1 THR A 98 4.978 -14.737 -1.826 1.00 0.00 O ATOM 1537 CG2 THR A 98 4.481 -16.729 -0.565 1.00 0.00 C ATOM 0 H THR A 98 2.846 -12.710 -0.657 1.00 0.00 H new ATOM 0 HA THR A 98 2.316 -15.570 -1.371 1.00 0.00 H new ATOM 0 HB THR A 98 4.754 -14.749 0.226 1.00 0.00 H new ATOM 0 HG1 THR A 98 5.132 -13.772 -1.746 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.541 -16.978 -0.509 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.974 -17.094 0.328 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.044 -17.198 -1.447 1.00 0.00 H new ATOM 1545 N SER A 99 1.233 -14.028 0.887 1.00 0.00 N ATOM 1546 CA SER A 99 0.579 -13.984 2.217 1.00 0.00 C ATOM 1547 C SER A 99 -0.528 -12.943 2.157 1.00 0.00 C ATOM 1548 O SER A 99 -0.388 -11.920 1.514 1.00 0.00 O ATOM 1549 CB SER A 99 1.601 -13.601 3.285 1.00 0.00 C ATOM 1550 OG SER A 99 2.443 -12.572 2.783 1.00 0.00 O ATOM 0 H SER A 99 0.859 -13.373 0.200 1.00 0.00 H new ATOM 0 HA SER A 99 0.167 -14.960 2.472 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.092 -13.262 4.187 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.197 -14.471 3.563 1.00 0.00 H new ATOM 0 HG SER A 99 1.948 -12.034 2.131 1.00 0.00 H new ATOM 1556 N ILE A 100 -1.637 -13.198 2.789 1.00 0.00 N ATOM 1557 CA ILE A 100 -2.769 -12.227 2.740 1.00 0.00 C ATOM 1558 C ILE A 100 -3.438 -12.153 4.116 1.00 0.00 C ATOM 1559 O ILE A 100 -3.238 -13.001 4.962 1.00 0.00 O ATOM 1560 CB ILE A 100 -3.771 -12.704 1.679 1.00 0.00 C ATOM 1561 CG1 ILE A 100 -3.216 -12.414 0.279 1.00 0.00 C ATOM 1562 CG2 ILE A 100 -5.105 -11.974 1.844 1.00 0.00 C ATOM 1563 CD1 ILE A 100 -4.033 -13.181 -0.757 1.00 0.00 C ATOM 0 H ILE A 100 -1.811 -14.039 3.340 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.409 -11.232 2.478 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.927 -13.775 1.804 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.258 -11.344 0.073 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.168 -12.708 0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.806 -12.322 1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.511 -12.178 2.835 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.949 -10.901 1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.641 -12.977 -1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.968 -14.250 -0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.075 -12.865 -0.705 1.00 0.00 H new ATOM 1842 N ASP A 118 11.220 -10.303 6.536 1.00 0.00 N ATOM 1843 CA ASP A 118 11.890 -9.694 5.347 1.00 0.00 C ATOM 1844 C ASP A 118 11.041 -8.524 4.856 1.00 0.00 C ATOM 1845 O ASP A 118 9.886 -8.396 5.212 1.00 0.00 O ATOM 1846 CB ASP A 118 12.002 -10.746 4.240 1.00 0.00 C ATOM 1847 CG ASP A 118 10.695 -11.533 4.152 1.00 0.00 C ATOM 1848 OD1 ASP A 118 9.679 -11.006 4.572 1.00 0.00 O ATOM 1849 OD2 ASP A 118 10.732 -12.652 3.667 1.00 0.00 O ATOM 0 HA ASP A 118 12.887 -9.343 5.613 1.00 0.00 H new ATOM 0 HB2 ASP A 118 12.214 -10.264 3.286 1.00 0.00 H new ATOM 0 HB3 ASP A 118 12.832 -11.421 4.448 1.00 0.00 H new ATOM 1854 N LYS A 119 11.596 -7.670 4.037 1.00 0.00 N ATOM 1855 CA LYS A 119 10.811 -6.511 3.518 1.00 0.00 C ATOM 1856 C LYS A 119 9.447 -7.020 3.044 1.00 0.00 C ATOM 1857 O LYS A 119 9.344 -8.065 2.434 1.00 0.00 O ATOM 1858 CB LYS A 119 11.564 -5.862 2.349 1.00 0.00 C ATOM 1859 CG LYS A 119 12.664 -4.939 2.887 1.00 0.00 C ATOM 1860 CD LYS A 119 13.663 -5.752 3.715 1.00 0.00 C ATOM 1861 CE LYS A 119 14.927 -4.923 3.947 1.00 0.00 C ATOM 1862 NZ LYS A 119 14.570 -3.651 4.638 1.00 0.00 N ATOM 0 H LYS A 119 12.559 -7.725 3.705 1.00 0.00 H new ATOM 0 HA LYS A 119 10.675 -5.767 4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 119 12.002 -6.632 1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.871 -5.294 1.729 1.00 0.00 H new ATOM 0 HG2 LYS A 119 13.177 -4.449 2.060 1.00 0.00 H new ATOM 0 HG3 LYS A 119 12.224 -4.153 3.500 1.00 0.00 H new ATOM 0 HD2 LYS A 119 13.218 -6.031 4.670 1.00 0.00 H new ATOM 0 HD3 LYS A 119 13.913 -6.678 3.197 1.00 0.00 H new ATOM 0 HE2 LYS A 119 15.639 -5.488 4.548 1.00 0.00 H new ATOM 0 HE3 LYS A 119 15.413 -4.708 2.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 15.426 -3.227 5.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 14.151 -2.990 3.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 13.883 -3.847 5.394 1.00 0.00 H new ATOM 1876 N GLN A 120 8.395 -6.309 3.344 1.00 0.00 N ATOM 1877 CA GLN A 120 7.040 -6.778 2.933 1.00 0.00 C ATOM 1878 C GLN A 120 6.113 -5.591 2.694 1.00 0.00 C ATOM 1879 O GLN A 120 6.276 -4.528 3.260 1.00 0.00 O ATOM 1880 CB GLN A 120 6.456 -7.685 4.028 1.00 0.00 C ATOM 1881 CG GLN A 120 6.580 -7.013 5.407 1.00 0.00 C ATOM 1882 CD GLN A 120 6.520 -8.072 6.509 1.00 0.00 C ATOM 1883 OE1 GLN A 120 5.519 -8.742 6.671 1.00 0.00 O ATOM 1884 NE2 GLN A 120 7.564 -8.256 7.271 1.00 0.00 N ATOM 0 H GLN A 120 8.414 -5.426 3.854 1.00 0.00 H new ATOM 0 HA GLN A 120 7.129 -7.340 2.003 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.409 -7.897 3.813 1.00 0.00 H new ATOM 0 HB3 GLN A 120 6.980 -8.641 4.034 1.00 0.00 H new ATOM 0 HG2 GLN A 120 7.519 -6.463 5.470 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.776 -6.289 5.542 1.00 0.00 H new ATOM 0 HE21 GLN A 120 8.402 -7.692 7.132 1.00 0.00 H new ATOM 0 HE22 GLN A 120 7.541 -8.964 8.005 1.00 0.00 H new ATOM 1893 N LEU A 121 5.147 -5.775 1.832 1.00 0.00 N ATOM 1894 CA LEU A 121 4.187 -4.682 1.497 1.00 0.00 C ATOM 1895 C LEU A 121 2.782 -5.050 1.970 1.00 0.00 C ATOM 1896 O LEU A 121 2.192 -5.992 1.486 1.00 0.00 O ATOM 1897 CB LEU A 121 4.142 -4.523 -0.022 1.00 0.00 C ATOM 1898 CG LEU A 121 5.559 -4.338 -0.579 1.00 0.00 C ATOM 1899 CD1 LEU A 121 5.476 -4.068 -2.085 1.00 0.00 C ATOM 1900 CD2 LEU A 121 6.247 -3.155 0.118 1.00 0.00 C ATOM 0 H LEU A 121 4.981 -6.652 1.338 1.00 0.00 H new ATOM 0 HA LEU A 121 4.511 -3.762 1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 121 3.678 -5.400 -0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 121 3.525 -3.665 -0.287 1.00 0.00 H new ATOM 0 HG LEU A 121 6.140 -5.242 -0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 121 6.481 -3.936 -2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 121 4.996 -4.912 -2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 121 4.893 -3.164 -2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 121 7.253 -3.031 -0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.672 -2.246 -0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 121 6.305 -3.348 1.189 1.00 0.00 H new ATOM 1912 N THR A 122 2.219 -4.297 2.878 1.00 0.00 N ATOM 1913 CA THR A 122 0.828 -4.597 3.333 1.00 0.00 C ATOM 1914 C THR A 122 -0.120 -3.773 2.462 1.00 0.00 C ATOM 1915 O THR A 122 -0.464 -2.651 2.780 1.00 0.00 O ATOM 1916 CB THR A 122 0.664 -4.216 4.813 1.00 0.00 C ATOM 1917 OG1 THR A 122 1.850 -4.552 5.519 1.00 0.00 O ATOM 1918 CG2 THR A 122 -0.522 -4.975 5.415 1.00 0.00 C ATOM 0 H THR A 122 2.659 -3.491 3.323 1.00 0.00 H new ATOM 0 HA THR A 122 0.608 -5.660 3.238 1.00 0.00 H new ATOM 0 HB THR A 122 0.481 -3.144 4.893 1.00 0.00 H new ATOM 0 HG1 THR A 122 2.545 -3.889 5.325 1.00 0.00 H new ATOM 0 HG21 THR A 122 -0.634 -4.702 6.464 1.00 0.00 H new ATOM 0 HG22 THR A 122 -1.432 -4.717 4.873 1.00 0.00 H new ATOM 0 HG23 THR A 122 -0.345 -6.048 5.337 1.00 0.00 H new ATOM 1926 N LEU A 123 -0.516 -4.318 1.346 1.00 0.00 N ATOM 1927 CA LEU A 123 -1.410 -3.575 0.414 1.00 0.00 C ATOM 1928 C LEU A 123 -2.794 -3.401 1.044 1.00 0.00 C ATOM 1929 O LEU A 123 -3.324 -4.302 1.663 1.00 0.00 O ATOM 1930 CB LEU A 123 -1.526 -4.365 -0.895 1.00 0.00 C ATOM 1931 CG LEU A 123 -0.127 -4.733 -1.410 1.00 0.00 C ATOM 1932 CD1 LEU A 123 -0.255 -5.654 -2.627 1.00 0.00 C ATOM 1933 CD2 LEU A 123 0.634 -3.461 -1.808 1.00 0.00 C ATOM 0 H LEU A 123 -0.256 -5.255 1.037 1.00 0.00 H new ATOM 0 HA LEU A 123 -0.994 -2.588 0.213 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -2.113 -5.269 -0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -2.054 -3.772 -1.642 1.00 0.00 H new ATOM 0 HG LEU A 123 0.421 -5.246 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 123 0.738 -5.915 -2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -0.787 -6.562 -2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -0.808 -5.142 -3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 123 1.626 -3.729 -2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 123 0.087 -2.941 -2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 123 0.731 -2.808 -0.940 1.00 0.00 H new ATOM 1945 N ILE A 124 -3.380 -2.235 0.897 1.00 0.00 N ATOM 1946 CA ILE A 124 -4.731 -1.973 1.490 1.00 0.00 C ATOM 1947 C ILE A 124 -5.591 -1.202 0.487 1.00 0.00 C ATOM 1948 O ILE A 124 -5.097 -0.406 -0.285 1.00 0.00 O ATOM 1949 CB ILE A 124 -4.583 -1.108 2.746 1.00 0.00 C ATOM 1950 CG1 ILE A 124 -3.734 -1.832 3.794 1.00 0.00 C ATOM 1951 CG2 ILE A 124 -5.969 -0.811 3.328 1.00 0.00 C ATOM 1952 CD1 ILE A 124 -3.349 -0.843 4.894 1.00 0.00 C ATOM 0 H ILE A 124 -2.977 -1.448 0.388 1.00 0.00 H new ATOM 0 HA ILE A 124 -5.196 -2.927 1.737 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.089 -0.175 2.475 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -4.291 -2.668 4.218 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -2.839 -2.247 3.331 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -5.864 -0.196 4.222 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -6.568 -0.278 2.589 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -6.463 -1.747 3.588 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -2.744 -1.351 5.645 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -2.777 -0.022 4.461 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.252 -0.449 5.361 1.00 0.00 H new ATOM 1964 N THR A 125 -6.883 -1.421 0.509 1.00 0.00 N ATOM 1965 CA THR A 125 -7.797 -0.689 -0.422 1.00 0.00 C ATOM 1966 C THR A 125 -8.512 0.421 0.355 1.00 0.00 C ATOM 1967 O THR A 125 -8.457 0.471 1.568 1.00 0.00 O ATOM 1968 CB THR A 125 -8.833 -1.660 -0.991 1.00 0.00 C ATOM 1969 OG1 THR A 125 -9.852 -1.884 -0.026 1.00 0.00 O ATOM 1970 CG2 THR A 125 -8.157 -2.985 -1.341 1.00 0.00 C ATOM 0 H THR A 125 -7.346 -2.079 1.136 1.00 0.00 H new ATOM 0 HA THR A 125 -7.221 -0.257 -1.241 1.00 0.00 H new ATOM 0 HB THR A 125 -9.274 -1.233 -1.892 1.00 0.00 H new ATOM 0 HG1 THR A 125 -10.517 -2.505 -0.391 1.00 0.00 H new ATOM 0 HG21 THR A 125 -8.897 -3.675 -1.746 1.00 0.00 H new ATOM 0 HG22 THR A 125 -7.378 -2.811 -2.083 1.00 0.00 H new ATOM 0 HG23 THR A 125 -7.713 -3.415 -0.443 1.00 0.00 H new ATOM 1978 N CYS A 126 -9.187 1.311 -0.326 1.00 0.00 N ATOM 1979 CA CYS A 126 -9.907 2.413 0.387 1.00 0.00 C ATOM 1980 C CYS A 126 -11.161 2.802 -0.401 1.00 0.00 C ATOM 1981 O CYS A 126 -11.143 2.887 -1.610 1.00 0.00 O ATOM 1982 CB CYS A 126 -8.983 3.628 0.515 1.00 0.00 C ATOM 1983 SG CYS A 126 -7.805 3.345 1.860 1.00 0.00 S ATOM 0 H CYS A 126 -9.272 1.324 -1.342 1.00 0.00 H new ATOM 0 HA CYS A 126 -10.198 2.072 1.381 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -8.450 3.794 -0.421 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -9.569 4.526 0.712 1.00 0.00 H new ATOM 0 HG CYS A 126 -7.726 2.071 2.107 1.00 0.00 H new ATOM 1989 N ASP A 127 -12.248 3.043 0.280 1.00 0.00 N ATOM 1990 CA ASP A 127 -13.505 3.432 -0.422 1.00 0.00 C ATOM 1991 C ASP A 127 -14.638 3.537 0.602 1.00 0.00 C ATOM 1992 O ASP A 127 -14.739 2.740 1.513 1.00 0.00 O ATOM 1993 CB ASP A 127 -13.856 2.373 -1.479 1.00 0.00 C ATOM 1994 CG ASP A 127 -13.466 0.988 -0.962 1.00 0.00 C ATOM 1995 OD1 ASP A 127 -12.333 0.591 -1.180 1.00 0.00 O ATOM 1996 OD2 ASP A 127 -14.307 0.347 -0.354 1.00 0.00 O ATOM 0 H ASP A 127 -12.320 2.987 1.296 1.00 0.00 H new ATOM 0 HA ASP A 127 -13.368 4.394 -0.915 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -14.923 2.403 -1.699 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.332 2.586 -2.411 1.00 0.00 H new ATOM 2001 N ASP A 128 -15.485 4.517 0.460 1.00 0.00 N ATOM 2002 CA ASP A 128 -16.610 4.682 1.424 1.00 0.00 C ATOM 2003 C ASP A 128 -16.038 4.879 2.826 1.00 0.00 C ATOM 2004 O ASP A 128 -16.197 4.045 3.690 1.00 0.00 O ATOM 2005 CB ASP A 128 -17.497 3.428 1.405 1.00 0.00 C ATOM 2006 CG ASP A 128 -18.868 3.759 1.999 1.00 0.00 C ATOM 2007 OD1 ASP A 128 -18.908 4.220 3.127 1.00 0.00 O ATOM 2008 OD2 ASP A 128 -19.856 3.545 1.314 1.00 0.00 O ATOM 0 H ASP A 128 -15.447 5.214 -0.284 1.00 0.00 H new ATOM 0 HA ASP A 128 -17.209 5.548 1.143 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -17.610 3.066 0.383 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -17.026 2.628 1.976 1.00 0.00 H new ATOM 2013 N TYR A 129 -15.362 5.966 3.061 1.00 0.00 N ATOM 2014 CA TYR A 129 -14.781 6.184 4.412 1.00 0.00 C ATOM 2015 C TYR A 129 -15.909 6.341 5.440 1.00 0.00 C ATOM 2016 O TYR A 129 -16.806 7.141 5.268 1.00 0.00 O ATOM 2017 CB TYR A 129 -13.894 7.435 4.400 1.00 0.00 C ATOM 2018 CG TYR A 129 -13.307 7.653 5.774 1.00 0.00 C ATOM 2019 CD1 TYR A 129 -14.077 8.241 6.784 1.00 0.00 C ATOM 2020 CD2 TYR A 129 -11.986 7.267 6.037 1.00 0.00 C ATOM 2021 CE1 TYR A 129 -13.527 8.443 8.055 1.00 0.00 C ATOM 2022 CE2 TYR A 129 -11.435 7.470 7.305 1.00 0.00 C ATOM 2023 CZ TYR A 129 -12.206 8.057 8.317 1.00 0.00 C ATOM 2024 OH TYR A 129 -11.662 8.257 9.568 1.00 0.00 O ATOM 0 H TYR A 129 -15.187 6.707 2.383 1.00 0.00 H new ATOM 0 HA TYR A 129 -14.170 5.324 4.687 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -13.096 7.320 3.667 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -14.479 8.305 4.101 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -15.095 8.539 6.583 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -11.392 6.812 5.258 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -14.121 8.897 8.834 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -10.416 7.175 7.505 1.00 0.00 H new ATOM 0 HH TYR A 129 -10.738 7.931 9.579 1.00 0.00 H new ATOM 2034 N ASN A 130 -15.877 5.579 6.510 1.00 0.00 N ATOM 2035 CA ASN A 130 -16.957 5.690 7.536 1.00 0.00 C ATOM 2036 C ASN A 130 -16.630 6.824 8.511 1.00 0.00 C ATOM 2037 O ASN A 130 -15.578 6.856 9.119 1.00 0.00 O ATOM 2038 CB ASN A 130 -17.056 4.378 8.317 1.00 0.00 C ATOM 2039 CG ASN A 130 -18.316 4.395 9.184 1.00 0.00 C ATOM 2040 OD1 ASN A 130 -19.184 5.225 9.000 1.00 0.00 O ATOM 2041 ND2 ASN A 130 -18.456 3.505 10.128 1.00 0.00 N ATOM 0 H ASN A 130 -15.153 4.890 6.713 1.00 0.00 H new ATOM 0 HA ASN A 130 -17.903 5.897 7.036 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -17.087 3.534 7.628 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -16.173 4.247 8.942 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -19.293 3.507 10.710 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -17.728 2.808 10.283 1.00 0.00 H new ATOM 2048 N GLU A 131 -17.536 7.756 8.664 1.00 0.00 N ATOM 2049 CA GLU A 131 -17.307 8.901 9.598 1.00 0.00 C ATOM 2050 C GLU A 131 -17.987 8.604 10.935 1.00 0.00 C ATOM 2051 O GLU A 131 -18.042 9.440 11.815 1.00 0.00 O ATOM 2052 CB GLU A 131 -17.923 10.164 8.995 1.00 0.00 C ATOM 2053 CG GLU A 131 -19.433 9.964 8.844 1.00 0.00 C ATOM 2054 CD GLU A 131 -20.014 11.081 7.974 1.00 0.00 C ATOM 2055 OE1 GLU A 131 -19.401 12.133 7.908 1.00 0.00 O ATOM 2056 OE2 GLU A 131 -21.062 10.864 7.390 1.00 0.00 O ATOM 0 H GLU A 131 -18.432 7.773 8.178 1.00 0.00 H new ATOM 0 HA GLU A 131 -16.238 9.044 9.753 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -17.720 11.023 9.634 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -17.473 10.375 8.025 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -19.638 8.993 8.392 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -19.910 9.967 9.824 1.00 0.00 H new ATOM 2063 N LYS A 132 -18.512 7.422 11.088 1.00 0.00 N ATOM 2064 CA LYS A 132 -19.205 7.059 12.358 1.00 0.00 C ATOM 2065 C LYS A 132 -18.193 6.489 13.352 1.00 0.00 C ATOM 2066 O LYS A 132 -18.432 6.452 14.543 1.00 0.00 O ATOM 2067 CB LYS A 132 -20.271 6.007 12.059 1.00 0.00 C ATOM 2068 CG LYS A 132 -21.255 6.561 11.025 1.00 0.00 C ATOM 2069 CD LYS A 132 -22.102 5.418 10.460 1.00 0.00 C ATOM 2070 CE LYS A 132 -22.993 4.843 11.562 1.00 0.00 C ATOM 2071 NZ LYS A 132 -24.071 4.019 10.948 1.00 0.00 N ATOM 0 H LYS A 132 -18.492 6.685 10.383 1.00 0.00 H new ATOM 0 HA LYS A 132 -19.670 7.946 12.788 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -19.804 5.097 11.682 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -20.800 5.739 12.974 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -21.898 7.311 11.485 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -20.712 7.057 10.221 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -22.715 5.781 9.635 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -21.456 4.638 10.058 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -22.399 4.235 12.244 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -23.428 5.650 12.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -24.678 3.627 11.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -24.643 4.612 10.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -23.646 3.241 10.404 1.00 0.00 H new ATOM 2085 N THR A 133 -17.063 6.041 12.870 1.00 0.00 N ATOM 2086 CA THR A 133 -16.021 5.465 13.777 1.00 0.00 C ATOM 2087 C THR A 133 -14.643 5.978 13.355 1.00 0.00 C ATOM 2088 O THR A 133 -13.643 5.682 13.980 1.00 0.00 O ATOM 2089 CB THR A 133 -16.046 3.939 13.672 1.00 0.00 C ATOM 2090 OG1 THR A 133 -15.839 3.556 12.320 1.00 0.00 O ATOM 2091 CG2 THR A 133 -17.400 3.413 14.154 1.00 0.00 C ATOM 0 H THR A 133 -16.814 6.049 11.881 1.00 0.00 H new ATOM 0 HA THR A 133 -16.225 5.765 14.805 1.00 0.00 H new ATOM 0 HB THR A 133 -15.255 3.519 14.294 1.00 0.00 H new ATOM 0 HG1 THR A 133 -15.853 2.579 12.251 1.00 0.00 H new ATOM 0 HG21 THR A 133 -17.416 2.326 14.078 1.00 0.00 H new ATOM 0 HG22 THR A 133 -17.556 3.707 15.192 1.00 0.00 H new ATOM 0 HG23 THR A 133 -18.194 3.831 13.535 1.00 0.00 H new ATOM 2099 N GLY A 134 -14.581 6.750 12.306 1.00 0.00 N ATOM 2100 CA GLY A 134 -13.268 7.286 11.850 1.00 0.00 C ATOM 2101 C GLY A 134 -12.424 6.153 11.264 1.00 0.00 C ATOM 2102 O GLY A 134 -11.247 6.040 11.540 1.00 0.00 O ATOM 0 H GLY A 134 -15.384 7.033 11.744 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -13.422 8.063 11.101 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -12.743 7.749 12.686 1.00 0.00 H new ATOM 2106 N VAL A 135 -13.015 5.312 10.456 1.00 0.00 N ATOM 2107 CA VAL A 135 -12.246 4.182 9.850 1.00 0.00 C ATOM 2108 C VAL A 135 -12.789 3.890 8.452 1.00 0.00 C ATOM 2109 O VAL A 135 -13.938 4.151 8.154 1.00 0.00 O ATOM 2110 CB VAL A 135 -12.408 2.930 10.719 1.00 0.00 C ATOM 2111 CG1 VAL A 135 -11.319 1.914 10.363 1.00 0.00 C ATOM 2112 CG2 VAL A 135 -12.287 3.310 12.196 1.00 0.00 C ATOM 0 H VAL A 135 -13.998 5.358 10.189 1.00 0.00 H new ATOM 0 HA VAL A 135 -11.192 4.454 9.788 1.00 0.00 H new ATOM 0 HB VAL A 135 -13.389 2.490 10.537 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -11.435 1.024 10.982 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -11.407 1.639 9.312 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -10.338 2.354 10.542 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -12.403 2.418 12.812 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -11.308 3.753 12.379 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -13.064 4.030 12.451 1.00 0.00 H new ATOM 2122 N TRP A 136 -11.979 3.336 7.593 1.00 0.00 N ATOM 2123 CA TRP A 136 -12.460 3.016 6.231 1.00 0.00 C ATOM 2124 C TRP A 136 -13.571 1.970 6.338 1.00 0.00 C ATOM 2125 O TRP A 136 -13.342 0.850 6.747 1.00 0.00 O ATOM 2126 CB TRP A 136 -11.291 2.485 5.388 1.00 0.00 C ATOM 2127 CG TRP A 136 -10.502 3.643 4.859 1.00 0.00 C ATOM 2128 CD1 TRP A 136 -9.297 4.051 5.321 1.00 0.00 C ATOM 2129 CD2 TRP A 136 -10.856 4.557 3.785 1.00 0.00 C ATOM 2130 NE1 TRP A 136 -8.895 5.159 4.595 1.00 0.00 N ATOM 2131 CE2 TRP A 136 -9.819 5.506 3.635 1.00 0.00 C ATOM 2132 CE3 TRP A 136 -11.967 4.648 2.934 1.00 0.00 C ATOM 2133 CZ2 TRP A 136 -9.882 6.515 2.674 1.00 0.00 C ATOM 2134 CZ3 TRP A 136 -12.037 5.662 1.962 1.00 0.00 C ATOM 2135 CH2 TRP A 136 -10.995 6.593 1.832 1.00 0.00 C ATOM 0 H TRP A 136 -11.006 3.093 7.780 1.00 0.00 H new ATOM 0 HA TRP A 136 -12.855 3.909 5.746 1.00 0.00 H new ATOM 0 HB2 TRP A 136 -10.653 1.841 5.993 1.00 0.00 H new ATOM 0 HB3 TRP A 136 -11.667 1.878 4.564 1.00 0.00 H new ATOM 0 HD1 TRP A 136 -8.741 3.589 6.123 1.00 0.00 H new ATOM 0 HE1 TRP A 136 -8.020 5.658 4.752 1.00 0.00 H new ATOM 0 HE3 TRP A 136 -12.773 3.935 3.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 136 -9.078 7.230 2.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 136 -12.897 5.725 1.312 1.00 0.00 H new ATOM 0 HH2 TRP A 136 -11.053 7.369 1.083 1.00 0.00 H new ATOM 2146 N GLU A 137 -14.779 2.351 5.999 1.00 0.00 N ATOM 2147 CA GLU A 137 -15.940 1.413 6.095 1.00 0.00 C ATOM 2148 C GLU A 137 -15.525 -0.007 5.687 1.00 0.00 C ATOM 2149 O GLU A 137 -15.234 -0.839 6.523 1.00 0.00 O ATOM 2150 CB GLU A 137 -17.073 1.897 5.183 1.00 0.00 C ATOM 2151 CG GLU A 137 -18.332 1.053 5.420 1.00 0.00 C ATOM 2152 CD GLU A 137 -18.881 1.332 6.821 1.00 0.00 C ATOM 2153 OE1 GLU A 137 -19.626 2.287 6.965 1.00 0.00 O ATOM 2154 OE2 GLU A 137 -18.548 0.585 7.726 1.00 0.00 O ATOM 0 H GLU A 137 -15.012 3.283 5.656 1.00 0.00 H new ATOM 0 HA GLU A 137 -16.284 1.393 7.129 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -17.287 2.947 5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -16.767 1.824 4.139 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -19.086 1.288 4.669 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -18.097 -0.006 5.315 1.00 0.00 H new ATOM 2161 N LYS A 138 -15.499 -0.288 4.408 1.00 0.00 N ATOM 2162 CA LYS A 138 -15.108 -1.653 3.930 1.00 0.00 C ATOM 2163 C LYS A 138 -13.694 -1.602 3.347 1.00 0.00 C ATOM 2164 O LYS A 138 -13.327 -0.660 2.672 1.00 0.00 O ATOM 2165 CB LYS A 138 -16.088 -2.103 2.844 1.00 0.00 C ATOM 2166 CG LYS A 138 -16.015 -1.142 1.652 1.00 0.00 C ATOM 2167 CD LYS A 138 -17.259 -1.308 0.773 1.00 0.00 C ATOM 2168 CE LYS A 138 -17.289 -2.719 0.179 1.00 0.00 C ATOM 2169 NZ LYS A 138 -17.761 -3.683 1.213 1.00 0.00 N ATOM 0 H LYS A 138 -15.733 0.374 3.668 1.00 0.00 H new ATOM 0 HA LYS A 138 -15.132 -2.355 4.763 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -15.848 -3.116 2.522 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -17.102 -2.127 3.243 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -15.944 -0.114 2.006 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -15.117 -1.341 1.068 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -18.159 -1.133 1.363 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -17.252 -0.567 -0.026 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -17.950 -2.746 -0.688 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -16.295 -3.000 -0.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -18.384 -4.389 0.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -16.943 -4.162 1.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -18.286 -3.171 1.951 1.00 0.00 H new ATOM 2183 N ARG A 139 -12.895 -2.605 3.599 1.00 0.00 N ATOM 2184 CA ARG A 139 -11.508 -2.598 3.052 1.00 0.00 C ATOM 2185 C ARG A 139 -10.845 -3.961 3.271 1.00 0.00 C ATOM 2186 O ARG A 139 -10.975 -4.568 4.316 1.00 0.00 O ATOM 2187 CB ARG A 139 -10.688 -1.503 3.750 1.00 0.00 C ATOM 2188 CG ARG A 139 -10.665 -1.741 5.281 1.00 0.00 C ATOM 2189 CD ARG A 139 -9.527 -2.716 5.699 1.00 0.00 C ATOM 2190 NE ARG A 139 -8.614 -2.064 6.702 1.00 0.00 N ATOM 2191 CZ ARG A 139 -8.072 -0.892 6.486 1.00 0.00 C ATOM 2192 NH1 ARG A 139 -8.260 -0.273 5.352 1.00 0.00 N ATOM 2193 NH2 ARG A 139 -7.323 -0.346 7.404 1.00 0.00 N ATOM 0 H ARG A 139 -13.141 -3.423 4.156 1.00 0.00 H new ATOM 0 HA ARG A 139 -11.549 -2.396 1.982 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -9.670 -1.498 3.361 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -11.117 -0.525 3.534 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -10.534 -0.789 5.795 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -11.625 -2.146 5.600 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -9.956 -3.623 6.125 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -8.956 -3.016 4.820 1.00 0.00 H new ATOM 0 HE ARG A 139 -8.411 -2.550 7.576 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -8.833 -0.702 4.626 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -7.834 0.640 5.192 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -7.161 -0.832 8.286 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -6.899 0.567 7.240 1.00 0.00 H new ATOM 2207 N LYS A 140 -10.124 -4.434 2.285 1.00 0.00 N ATOM 2208 CA LYS A 140 -9.415 -5.752 2.394 1.00 0.00 C ATOM 2209 C LYS A 140 -7.913 -5.483 2.242 1.00 0.00 C ATOM 2210 O LYS A 140 -7.523 -4.445 1.748 1.00 0.00 O ATOM 2211 CB LYS A 140 -9.915 -6.702 1.282 1.00 0.00 C ATOM 2212 CG LYS A 140 -10.483 -5.891 0.110 1.00 0.00 C ATOM 2213 CD LYS A 140 -10.873 -6.840 -1.027 1.00 0.00 C ATOM 2214 CE LYS A 140 -11.782 -6.110 -2.018 1.00 0.00 C ATOM 2215 NZ LYS A 140 -13.149 -5.984 -1.439 1.00 0.00 N ATOM 0 H LYS A 140 -9.993 -3.956 1.393 1.00 0.00 H new ATOM 0 HA LYS A 140 -9.613 -6.226 3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -9.095 -7.331 0.935 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -10.682 -7.367 1.679 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -11.353 -5.321 0.436 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -9.743 -5.171 -0.240 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -9.979 -7.200 -1.536 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -11.385 -7.714 -0.625 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -11.377 -5.123 -2.240 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -11.824 -6.656 -2.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -13.832 -5.793 -2.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -13.405 -6.870 -0.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -13.165 -5.201 -0.754 1.00 0.00 H new ATOM 2229 N ILE A 141 -7.058 -6.388 2.676 1.00 0.00 N ATOM 2230 CA ILE A 141 -5.581 -6.134 2.559 1.00 0.00 C ATOM 2231 C ILE A 141 -4.838 -7.407 2.122 1.00 0.00 C ATOM 2232 O ILE A 141 -5.318 -8.513 2.268 1.00 0.00 O ATOM 2233 CB ILE A 141 -5.046 -5.618 3.912 1.00 0.00 C ATOM 2234 CG1 ILE A 141 -4.747 -6.791 4.863 1.00 0.00 C ATOM 2235 CG2 ILE A 141 -6.102 -4.702 4.542 1.00 0.00 C ATOM 2236 CD1 ILE A 141 -4.477 -6.268 6.278 1.00 0.00 C ATOM 0 H ILE A 141 -7.315 -7.279 3.100 1.00 0.00 H new ATOM 0 HA ILE A 141 -5.407 -5.377 1.794 1.00 0.00 H new ATOM 0 HB ILE A 141 -4.120 -5.069 3.744 1.00 0.00 H new ATOM 0 HG12 ILE A 141 -5.590 -7.482 4.877 1.00 0.00 H new ATOM 0 HG13 ILE A 141 -3.883 -7.350 4.503 1.00 0.00 H new ATOM 0 HG21 ILE A 141 -5.737 -4.330 5.499 1.00 0.00 H new ATOM 0 HG22 ILE A 141 -6.298 -3.861 3.877 1.00 0.00 H new ATOM 0 HG23 ILE A 141 -7.023 -5.263 4.698 1.00 0.00 H new ATOM 0 HD11 ILE A 141 -4.267 -7.107 6.942 1.00 0.00 H new ATOM 0 HD12 ILE A 141 -3.619 -5.596 6.260 1.00 0.00 H new ATOM 0 HD13 ILE A 141 -5.353 -5.729 6.640 1.00 0.00 H new ATOM 2248 N PHE A 142 -3.656 -7.235 1.583 1.00 0.00 N ATOM 2249 CA PHE A 142 -2.838 -8.395 1.112 1.00 0.00 C ATOM 2250 C PHE A 142 -1.407 -8.235 1.636 1.00 0.00 C ATOM 2251 O PHE A 142 -1.087 -7.256 2.281 1.00 0.00 O ATOM 2252 CB PHE A 142 -2.822 -8.400 -0.419 1.00 0.00 C ATOM 2253 CG PHE A 142 -4.224 -8.172 -0.943 1.00 0.00 C ATOM 2254 CD1 PHE A 142 -4.805 -6.898 -0.862 1.00 0.00 C ATOM 2255 CD2 PHE A 142 -4.943 -9.232 -1.509 1.00 0.00 C ATOM 2256 CE1 PHE A 142 -6.100 -6.687 -1.346 1.00 0.00 C ATOM 2257 CE2 PHE A 142 -6.239 -9.019 -1.994 1.00 0.00 C ATOM 2258 CZ PHE A 142 -6.816 -7.747 -1.913 1.00 0.00 C ATOM 0 H PHE A 142 -3.217 -6.324 1.448 1.00 0.00 H new ATOM 0 HA PHE A 142 -3.262 -9.330 1.478 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -2.154 -7.622 -0.788 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -2.436 -9.351 -0.785 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -4.252 -6.079 -0.426 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -4.498 -10.214 -1.571 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -6.547 -5.706 -1.282 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -6.793 -9.837 -2.431 1.00 0.00 H new ATOM 0 HZ PHE A 142 -7.815 -7.583 -2.289 1.00 0.00 H new ATOM 2268 N VAL A 143 -0.538 -9.181 1.374 1.00 0.00 N ATOM 2269 CA VAL A 143 0.868 -9.059 1.874 1.00 0.00 C ATOM 2270 C VAL A 143 1.840 -9.783 0.933 1.00 0.00 C ATOM 2271 O VAL A 143 1.612 -10.912 0.533 1.00 0.00 O ATOM 2272 CB VAL A 143 0.971 -9.679 3.271 1.00 0.00 C ATOM 2273 CG1 VAL A 143 2.421 -9.612 3.754 1.00 0.00 C ATOM 2274 CG2 VAL A 143 0.077 -8.906 4.244 1.00 0.00 C ATOM 0 H VAL A 143 -0.739 -10.026 0.840 1.00 0.00 H new ATOM 0 HA VAL A 143 1.131 -8.002 1.913 1.00 0.00 H new ATOM 0 HB VAL A 143 0.647 -10.719 3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 143 2.494 -10.053 4.748 1.00 0.00 H new ATOM 0 HG12 VAL A 143 3.060 -10.163 3.064 1.00 0.00 H new ATOM 0 HG13 VAL A 143 2.743 -8.572 3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 143 0.152 -9.349 5.237 1.00 0.00 H new ATOM 0 HG22 VAL A 143 0.399 -7.865 4.286 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -0.957 -8.953 3.903 1.00 0.00 H new ATOM 2284 N ALA A 144 2.936 -9.137 0.592 1.00 0.00 N ATOM 2285 CA ALA A 144 3.957 -9.768 -0.309 1.00 0.00 C ATOM 2286 C ALA A 144 5.336 -9.624 0.344 1.00 0.00 C ATOM 2287 O ALA A 144 5.488 -8.921 1.323 1.00 0.00 O ATOM 2288 CB ALA A 144 3.953 -9.049 -1.660 1.00 0.00 C ATOM 0 H ALA A 144 3.167 -8.193 0.903 1.00 0.00 H new ATOM 0 HA ALA A 144 3.725 -10.822 -0.463 1.00 0.00 H new ATOM 0 HB1 ALA A 144 4.694 -9.505 -2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 144 2.965 -9.132 -2.114 1.00 0.00 H new ATOM 0 HB3 ALA A 144 4.197 -7.997 -1.513 1.00 0.00 H new ATOM 2294 N THR A 145 6.344 -10.289 -0.175 1.00 0.00 N ATOM 2295 CA THR A 145 7.709 -10.183 0.442 1.00 0.00 C ATOM 2296 C THR A 145 8.789 -10.112 -0.636 1.00 0.00 C ATOM 2297 O THR A 145 8.667 -10.696 -1.694 1.00 0.00 O ATOM 2298 CB THR A 145 7.969 -11.398 1.342 1.00 0.00 C ATOM 2299 OG1 THR A 145 9.203 -11.222 2.021 1.00 0.00 O ATOM 2300 CG2 THR A 145 8.028 -12.679 0.504 1.00 0.00 C ATOM 0 H THR A 145 6.282 -10.896 -0.992 1.00 0.00 H new ATOM 0 HA THR A 145 7.745 -9.269 1.035 1.00 0.00 H new ATOM 0 HB THR A 145 7.156 -11.486 2.063 1.00 0.00 H new ATOM 0 HG1 THR A 145 9.558 -12.096 2.286 1.00 0.00 H new ATOM 0 HG21 THR A 145 8.213 -13.532 1.156 1.00 0.00 H new ATOM 0 HG22 THR A 145 7.080 -12.818 -0.015 1.00 0.00 H new ATOM 0 HG23 THR A 145 8.833 -12.599 -0.226 1.00 0.00 H new ATOM 2308 N GLU A 146 9.851 -9.399 -0.361 1.00 0.00 N ATOM 2309 CA GLU A 146 10.965 -9.281 -1.343 1.00 0.00 C ATOM 2310 C GLU A 146 11.623 -10.652 -1.536 1.00 0.00 C ATOM 2311 O GLU A 146 12.829 -10.784 -1.482 1.00 0.00 O ATOM 2312 CB GLU A 146 12.003 -8.287 -0.813 1.00 0.00 C ATOM 2313 CG GLU A 146 12.938 -7.857 -1.948 1.00 0.00 C ATOM 2314 CD GLU A 146 12.231 -6.834 -2.839 1.00 0.00 C ATOM 2315 OE1 GLU A 146 11.054 -6.602 -2.621 1.00 0.00 O ATOM 2316 OE2 GLU A 146 12.879 -6.300 -3.724 1.00 0.00 O ATOM 0 H GLU A 146 9.993 -8.889 0.511 1.00 0.00 H new ATOM 0 HA GLU A 146 10.575 -8.928 -2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 146 11.503 -7.415 -0.392 1.00 0.00 H new ATOM 0 HB3 GLU A 146 12.579 -8.744 -0.008 1.00 0.00 H new ATOM 0 HG2 GLU A 146 13.851 -7.426 -1.537 1.00 0.00 H new ATOM 0 HG3 GLU A 146 13.233 -8.725 -2.538 1.00 0.00 H new ATOM 2323 N VAL A 147 10.841 -11.676 -1.761 1.00 0.00 N ATOM 2324 CA VAL A 147 11.423 -13.042 -1.954 1.00 0.00 C ATOM 2325 C VAL A 147 10.556 -13.816 -2.952 1.00 0.00 C ATOM 2326 O VAL A 147 9.543 -13.332 -3.417 1.00 0.00 O ATOM 2327 CB VAL A 147 11.472 -13.788 -0.602 1.00 0.00 C ATOM 2328 CG1 VAL A 147 12.560 -14.873 -0.617 1.00 0.00 C ATOM 2329 CG2 VAL A 147 11.782 -12.793 0.523 1.00 0.00 C ATOM 0 H VAL A 147 9.824 -11.627 -1.820 1.00 0.00 H new ATOM 0 HA VAL A 147 12.438 -12.959 -2.342 1.00 0.00 H new ATOM 0 HB VAL A 147 10.503 -14.258 -0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 147 12.576 -15.385 0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 147 12.346 -15.592 -1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 147 13.531 -14.412 -0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 147 11.816 -13.321 1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 147 12.746 -12.320 0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 147 11.004 -12.030 0.558 1.00 0.00 H new